data_1eky_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 1eky _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.21 -54.13 12.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.42 -39.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.97 -47.68 57.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.63 -46.21 63.55 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.649 0.593 . . . . 0.0 110.675 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.45 97.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.33 -32.48 70.12 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.36 -38.56 87.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.06 81.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.049 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.34 -25.8 64.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.45 -37.02 44.59 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.59 -30.77 68.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.66 -67.39 0.45 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.84 -33.57 70.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.33 -22.08 78.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 -41.12 20.73 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 108.659 -1.776 . . . . 0.0 108.659 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.02 -46.63 84.97 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.88 -45.99 90.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.494 0.718 . . . . 0.0 112.754 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.43 -60.68 3.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.989 0.423 . . . . 0.0 109.865 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -20.13 54.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.605 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.45 -42.18 23.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.748 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.92 -31.42 61.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.318 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.88 -46.42 9.52 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.02 -2.432 . . . . 0.0 107.02 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.88 -35.53 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.11 96.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.54 -74.91 0.19 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.5 61.59 4.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.113 0.565 . . . . 0.0 110.42 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.07 -175.25 0.72 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.802 0.334 . . . . 0.0 110.701 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 174.64 -64.35 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 168.96 -49.83 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.06 -48.05 80.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.402 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.1 50.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.086 0.155 . . . . 0.0 110.975 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.75 24.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.399 0.437 . . . . 0.0 111.212 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.36 -47.18 69.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.002 0.188 . . . . 0.0 110.527 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 120.652 0.263 . . . . 0.0 111.082 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.2 -43.9 85.47 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -52.8 -46.47 67.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 123.871 0.732 . . . . 0.0 109.935 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.55 -49.83 69.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.84 -39.22 88.25 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.15 -67.99 0.21 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.124 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.48 -42.08 3.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 124.357 1.036 . . . . 0.0 111.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.14 -40.96 78.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -74.18 -46.93 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.78 -60.96 2.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.11 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.393 0 C-N-CA 122.934 0.493 . . . . 0.0 111.191 -178.415 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 110.764 -0.087 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -43.57 -32.32 0.91 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 123.744 0.652 . . . . 0.0 111.356 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -72.46 -58.88 3.03 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.981 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -55.97 -48.42 75.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.38 -47.77 75.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.86 -39.19 61.56 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.39 -67.42 0.27 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.189 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.5 -34.85 1.46 Allowed 'General case' 0 C--N 1.341 0.235 0 O-C-N 123.94 0.775 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.44 -73.2 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 106.958 -2.457 . . . . 0.0 106.958 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.24 -46.83 12.69 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.321 0.659 . . . . 0.0 111.279 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.31 -49.13 64.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.36 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.28 -42.71 77.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.12 -40.29 89.2 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.062 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.94 -47.02 61.12 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.51 70.51 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.609 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.84 -67.31 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.666 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.09 -37.68 91.85 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.19 78.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.629 0.714 . . . . 0.0 110.393 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.73 -44.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -61.91 -36.63 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.91 78.3 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.2 75.24 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.409 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -58.4 -52.19 66.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -67.03 -52.76 38.38 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -22.33 13.87 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 78.08 16.76 79.34 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.422 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -83.29 86.79 6.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -29.62 57.83 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.61 -29.32 36.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.422 ' CB ' ' CB ' ' A' ' 103' ' ' ASP . . . -75.63 -36.09 60.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.263 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.03 -26.58 39.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 122.52 0.328 . . . . 0.0 110.562 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.26 -45.17 10.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.55 -39.03 65.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.39 69.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.67 -27.64 69.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 122.487 0.315 . . . . 0.0 111.387 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.36 -32.83 64.74 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.18 -41.1 98.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -69.36 -30.55 68.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.74 -52.36 51.22 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -73.91 -18.93 79.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.61 -61.0 1.94 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.05 -47.83 84.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.5 -46.69 76.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -52.73 -41.26 63.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.413 0.446 . . . . 0.0 110.126 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -58.55 -53.95 52.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.31 -39.78 80.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.18 -41.56 57.73 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.23 -42.19 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.452 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.86 -52.33 25.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -48.78 -46.37 41.38 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.813 0.696 . . . . 0.0 111.175 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.33 94.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.98 -29.9 67.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.01 -38.66 92.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.67 -41.8 78.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.199 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.73 -26.16 66.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.12 -40.32 46.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.07 -29.4 68.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.91 -67.38 0.46 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.28 -31.24 68.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.3 78.72 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.24 -40.57 19.62 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.51 -46.98 85.62 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.67 -47.47 82.22 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.529 0.731 . . . . 0.0 112.815 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.43 -61.91 1.93 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 110.71 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -22.06 56.18 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.392 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.674 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.3 -43.06 21.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.772 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.14 -34.22 65.97 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 122.618 0.367 . . . . 0.0 111.185 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.87 -46.84 12.82 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.72 -2.152 . . . . 0.0 107.72 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.23 -33.51 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.48 98.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.373 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.27 -76.33 0.16 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 119.851 -0.118 . . . . 0.0 110.811 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.48 62.77 6.09 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.959 0.504 . . . . 0.0 109.884 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.78 -176.24 1.03 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 110.754 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 174.43 -64.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 169.61 -49.98 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.86 -49.51 72.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -54.99 39.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.061 0.144 . . . . 0.0 111.273 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.93 39.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.299 0.374 . . . . 0.0 111.063 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.42 -46.16 66.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.141 0.276 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -65.63 -36.3 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 111.134 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.97 -45.11 78.7 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.65 67.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.74 0.65 . . . . 0.0 109.61 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.31 -50.55 71.13 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.94 -37.14 81.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.58 -70.25 0.11 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.744 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.01 -41.08 1.58 Allowed 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.186 0.928 . . . . 0.0 112.484 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -60.77 -40.14 91.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.42 -48.62 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.21 -54.04 18.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.643 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.399 0 C-N-CA 122.763 0.425 . . . . 0.0 111.966 -177.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -37.25 4.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 124.106 0.879 . . . . 0.0 111.691 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.28 -62.21 1.48 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -52.68 -49.21 65.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.36 -45.77 76.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.0 -39.34 78.99 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.75 -66.58 0.37 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.467 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.01 -36.04 12.06 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 123.701 0.625 . . . . 0.0 109.979 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.61 -66.66 2.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 106.852 -2.499 . . . . 0.0 106.852 177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.52 -43.21 35.02 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.326 0.662 . . . . 0.0 110.325 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.7 -52.39 56.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.013 0.435 . . . . 0.0 110.745 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.34 -40.32 74.28 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.03 -41.56 83.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.42 -38.52 53.99 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.05 -37.51 64.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.968 177.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.47 -64.72 3.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.424 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.59 -39.17 96.56 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.44 -44.4 72.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 117.181 0.49 . . . . 0.0 110.292 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.0 -40.95 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -55.38 -50.4 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.4 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.166 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.91 68.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.75 -49.03 74.21 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.45 -38.16 58.61 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.349 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -104.25 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.22 -55.19 0.19 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.09 126.81 2.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.34 -4.59 89.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.23 -44.35 17.9 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.63 63.09 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.486 -1.233 . . . . 0.0 108.115 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.73 -62.52 1.82 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.67 92.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.13 -58.68 5.4 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.9 -39.29 74.14 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.68 -22.01 66.09 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.495 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.69 -33.93 40.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.21 -42.23 94.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -68.55 -29.12 67.61 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.61 -40.73 94.17 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.07 -23.34 61.6 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.75 -57.85 5.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.94 -46.99 86.88 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.69 -45.58 81.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.53 75.68 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.59 -48.8 68.9 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -66.55 -36.48 82.78 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.858 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.425 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -80.09 -30.81 39.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.64 -48.06 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.95 -50.39 35.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.35 -45.18 54.9 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.744 0.652 . . . . 0.0 111.004 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.63 98.44 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.44 -30.34 68.42 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.96 -38.09 89.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.28 79.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.202 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.68 -26.06 65.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.3 -35.97 47.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.78 -26.37 62.4 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -69.08 -68.08 0.43 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.3 -29.65 70.0 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.48 -23.13 76.23 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.57 -39.99 24.05 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.02 -51.09 71.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.41 -42.31 77.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.184 0.594 . . . . 0.0 112.106 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.9 -63.96 0.99 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.008 0.433 . . . . 0.0 110.101 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -55.78 -23.68 31.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.42 -45.77 17.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.517 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.22 -34.31 70.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.561 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.43 -50.91 5.16 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.477 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -59.12 -45.31 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -65.25 -37.78 88.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.647 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.04 -31.69 56.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.46 -118.97 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.56 -162.26 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.76 74.37 1.21 Allowed 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 123.845 0.716 . . . . 0.0 110.009 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.82 -88.57 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.76 -50.36 69.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.73 -50.56 71.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 122.474 -0.141 . . . . 0.0 110.798 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.42 64.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.282 0.363 . . . . 0.0 110.234 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.64 -49.25 62.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.292 0.37 . . . . 0.0 110.989 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -36.08 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.87 -43.43 92.98 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.62 65.67 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.733 0.645 . . . . 0.0 109.531 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.54 -50.38 72.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.3 -38.28 79.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.57 -64.02 0.96 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.26 -46.92 2.38 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.121 0.969 . . . . 0.0 112.409 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.13 -39.77 75.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.86 -37.33 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -44.23 -49.59 9.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 124.508 1.13 . . . . 0.0 110.862 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.031 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.776 -0.083 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.81 -34.98 4.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.863 0.727 . . . . 0.0 111.733 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.07 -56.86 7.35 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.34 -46.43 72.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.73 -46.46 81.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.64 65.19 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.51 -66.13 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.113 -0.47 . . . . 0.0 110.065 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.03 -34.86 1.87 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.236 0.96 . . . . 0.0 110.781 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.15 1.79 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 106.633 -2.587 . . . . 0.0 106.633 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.61 -47.06 40.29 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.292 0.642 . . . . 0.0 110.973 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.5 49.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.45 0.3 . . . . 0.0 111.363 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.77 -37.78 71.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.548 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.1 -43.03 61.01 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.622 0.725 . . . . 0.0 109.336 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.69 -33.62 62.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.712 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.75 -64.79 4.06 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.206 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.4 -36.67 89.42 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.62 -37.76 68.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.483 0.641 . . . . 0.0 110.089 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -74.23 -41.96 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -55.61 -52.08 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.86 67.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.577 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.38 67.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.17 -51.26 68.66 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.09 -51.62 15.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.6 -27.67 50.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.16 78.57 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -83.84 85.87 7.24 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.63 -25.52 55.64 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.9 -31.91 34.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -74.84 -36.09 62.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.115 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.13 -25.16 40.0 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.03 -47.39 9.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.54 -32.14 69.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -65.11 -57.9 7.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.49 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.27 -25.97 67.45 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.96 -33.11 59.77 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.1 -44.2 87.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -74.09 -26.53 60.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.58 13.57 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.77 -18.72 74.73 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.37 -56.97 7.55 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.2 -46.77 82.48 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.45 -50.0 72.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.47 75.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.065 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.82 -47.2 74.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -71.94 -36.41 69.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.36 -50.62 37.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.31 -38.61 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.11 -48.81 50.08 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.24 -48.09 65.37 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.477 0.486 . . . . 0.0 110.896 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.95 89.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.29 -32.3 71.07 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.63 -38.48 91.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.29 87.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.846 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.48 -28.07 65.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.85 -37.03 67.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.85 -39.62 93.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.1 -64.31 0.99 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -54.53 -36.33 64.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.34 -71.79 0.69 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.78 -43.55 2.39 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.393 0.997 . . . . 0.0 114.115 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.84 -54.8 41.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.115 1.458 . . . . 0.0 108.227 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.0 -49.17 42.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.274 0.63 . . . . 0.0 112.145 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.32 -57.67 7.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.86 69.61 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.278 0.561 . . . . 0.0 110.188 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -78.0 -34.61 50.67 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.517 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.47 -58.48 3.93 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.625 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.93 -41.98 99.77 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.97 -37.22 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -68.94 -40.54 78.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.38 -16.68 53.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.504 0.322 . . . . 0.0 110.533 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.92 -142.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.271 0.228 . . . . 0.0 110.574 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.95 61.72 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -157.41 -152.74 0.37 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.65 -26.56 0.41 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 123.676 0.61 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -59.21 -50.14 75.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.88 78.2 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.99 61.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 123.416 0.448 . . . . 0.0 110.169 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.94 -47.14 68.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.84 -35.74 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.2 -43.4 91.68 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.45 -44.95 62.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.245 0.965 . . . . 0.0 109.112 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.84 -51.07 64.74 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.63 -34.28 75.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.46 -59.91 4.16 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.83 -42.46 1.81 Allowed 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.914 1.384 . . . . 0.0 109.452 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.49 -46.05 80.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -63.19 -47.38 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.41 66.75 4.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -172.426 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 120.639 0.257 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.01 -38.4 3.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.311 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.83 -61.69 1.69 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.27 -48.7 70.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.47 -46.65 76.83 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.79 60.58 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -63.79 1.04 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.39 -36.47 1.94 Allowed 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.952 0.782 . . . . 0.0 111.362 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.57 -67.28 2.26 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 106.543 -2.623 . . . . 0.0 106.543 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.58 -50.81 16.84 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.402 0.707 . . . . 0.0 111.235 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.98 22.07 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 122.46 0.304 . . . . 0.0 111.174 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.34 -41.91 69.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.77 -42.2 78.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.492 177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.48 -44.65 62.53 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -70.23 -36.51 74.58 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.425 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.25 -67.95 1.95 Allowed Glycine 0 CA--C 1.525 0.662 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.17 97.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.34 63.54 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 117.289 0.544 . . . . 0.0 110.137 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -71.41 -41.13 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.09 -53.23 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.67 -48.15 80.31 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.73 68.3 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.39 -51.48 69.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.51 -51.8 52.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.412 0.445 . . . . 0.0 110.507 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.32 174.31 11.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.92 21.81 44.08 Favored Glycine 0 C--N 1.339 0.702 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -78.32 61.84 2.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.784 0.292 . . . . 0.0 110.606 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.71 -27.24 70.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.26 -63.27 1.14 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.71 -9.63 55.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.0 -31.5 39.73 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.99 -41.26 23.08 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 107.423 -2.271 . . . . 0.0 107.423 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.87 77.62 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.1 83.15 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.09 -29.68 70.48 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 122.367 0.267 . . . . 0.0 110.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.33 -31.76 65.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -66.4 -27.61 67.98 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.79 -50.75 45.61 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.5 -24.05 75.74 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.8 -58.16 5.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.45 -48.89 79.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.17 -43.2 78.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.57 -47.02 70.47 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.06 -50.73 70.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -59.35 -39.11 82.15 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.05 -39.08 63.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.09 -46.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.675 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.09 -51.43 21.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.76 -44.77 63.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.477 0.486 . . . . 0.0 110.922 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -28.51 68.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -37.92 88.4 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.04 71.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.05 -25.6 61.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.05 -36.06 36.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.7 -25.13 61.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -73.29 -69.09 0.44 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.85 -32.77 67.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.78 -28.63 64.65 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.58 -38.91 68.39 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.024 -2.031 . . . . 0.0 108.024 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.14 -52.11 66.74 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.31 -49.91 41.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 112.839 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.12 -61.29 2.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.278 0.231 . . . . 0.0 111.343 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.67 -27.23 38.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -79.01 -37.03 40.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.215 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.32 -38.87 71.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.425 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.14 -45.2 41.62 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.484 -1.846 . . . . 0.0 108.484 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.51 -42.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.85 72.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.65 -33.98 77.15 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -99.11 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.85 -96.8 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.01 51.39 0.6 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.63 -133.94 0.33 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 124.435 1.084 . . . . 0.0 112.176 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -66.06 -38.9 89.51 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.975 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.88 29.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.6 -55.28 20.15 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.372 -0.347 . . . . 0.0 111.253 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.29 -52.01 48.99 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.278 0.361 . . . . 0.0 110.355 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.54 -37.96 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.002 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.95 -43.37 92.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.19 -46.14 62.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.225 0.953 . . . . 0.0 109.698 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.89 71.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.48 -38.22 86.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.9 -62.62 1.54 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.26 -47.81 4.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 124.165 0.915 . . . . 0.0 111.939 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.36 -43.97 68.2 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.823 0.344 . . . . 0.0 110.083 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -69.7 -36.78 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.26 -54.31 22.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.713 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.39 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.84 -35.7 24.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 123.483 0.489 . . . . 0.0 109.984 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.09 -54.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.58 -39.65 68.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.0 -48.8 75.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.03 62.38 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.14 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.13 14.2 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 123.498 0.499 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.88 -70.92 0.78 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.773 -2.131 . . . . 0.0 107.773 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.05 -44.28 31.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.382 0.695 . . . . 0.0 110.589 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.58 64.13 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 110.732 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.35 -44.41 72.11 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.33 -41.14 92.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.79 -44.46 48.97 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.438 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.72 -34.86 62.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.846 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.68 -65.62 3.31 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 114.097 -1.41 . . . . 0.0 110.839 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.35 83.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.46 91.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.326 0.563 . . . . 0.0 109.888 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.21 -45.53 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -61.95 -39.77 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.54 72.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.08 93.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.26 -53.86 52.21 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -65.03 -51.2 62.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.86 -18.97 5.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.4 14.61 82.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -82.96 86.18 7.02 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.88 -25.64 53.16 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.84 35.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.65 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -71.12 -34.81 71.41 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.05 -25.92 39.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.594 0.358 . . . . 0.0 110.599 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.75 -50.79 6.81 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.91 -37.78 82.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.65 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.38 -56.66 14.53 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.557 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -55.97 -30.9 62.45 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.073 0.549 . . . . 0.0 112.214 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.87 -33.23 63.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -57.61 -44.45 85.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.438 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.23 -26.84 61.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.883 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.71 11.05 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.27 -23.12 74.7 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -57.97 7.0 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.19 -46.99 75.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.58 -53.87 51.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.23 68.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.422 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.62 -45.94 70.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 123.172 0.295 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.71 -40.09 66.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.473 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.731 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.43 -47.24 57.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.71 -34.09 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.54 -50.75 16.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.34 -43.88 64.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.429 0.456 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.84 99.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.61 -28.44 67.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.98 -38.74 89.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.92 -45.27 82.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.3 -22.71 65.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.09 -43.16 22.25 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.35 -22.28 65.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -74.44 -66.15 0.77 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.8 -36.41 74.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.6 -39.18 56.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.13 -42.27 96.59 Favored Glycine 0 C--N 1.335 0.505 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -50.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.88 -50.2 46.71 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.137 0.575 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.6 -61.72 2.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.361 0.264 . . . . 0.0 111.369 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.26 46.6 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 123.787 0.68 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -69.21 -39.81 78.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.492 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.78 -46.64 52.24 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.52 -49.66 18.41 Favored Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -55.25 -51.89 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.6 69.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.09 -31.19 55.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -114.59 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -89.61 -166.43 1.59 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.34 81.33 1.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.022 0.826 . . . . 0.0 111.525 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.69 -88.11 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -68.9 -40.98 78.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.17 34.7 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -51.44 -44.41 62.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 122.618 0.367 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.57 -46.53 80.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -58.96 -40.28 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.693 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.17 -43.22 87.52 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 105.647 -1.982 . . . . 0.0 105.647 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.08 62.72 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.231 0.957 . . . . 0.0 110.026 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.49 72.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -46.19 91.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -49.58 -64.69 0.73 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.167 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.54 -46.19 4.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 124.646 1.216 . . . . 0.0 111.926 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.86 -39.6 65.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.07 -39.91 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.241 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.94 -51.59 67.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.748 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.449 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -52.69 -25.9 12.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.773 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.7 -54.62 40.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -56.22 -41.95 76.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.48 -48.47 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.88 65.14 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.25 -63.75 1.05 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.71 -34.94 8.92 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.77 0.669 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.13 -69.56 1.2 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.652 -2.179 . . . . 0.0 107.652 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.01 -48.58 43.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.031 -0.584 . . . . 0.0 111.34 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.53 67.0 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.063 0.459 . . . . 0.0 110.437 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.1 -49.52 63.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.374 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.32 -39.31 82.72 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.237 -0.411 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -49.27 -48.03 46.27 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.364 0.602 . . . . 0.0 109.417 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -34.6 63.36 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.468 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -50.96 -67.92 1.72 Allowed Glycine 0 CA--C 1.534 1.254 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.534 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.14 60.41 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -64.01 -37.81 88.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.462 0.631 . . . . 0.0 109.43 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.69 -45.02 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.0 -38.7 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.09 -51.53 69.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.33 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.04 -36.53 66.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.918 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.425 ' CB ' ' CB ' ' A' ' 36' ' ' ALA . . . -62.61 -55.05 30.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.114 0.166 . . . . 0.0 110.807 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -71.37 -70.25 0.33 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.741 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.05 84.07 5.84 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.355 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 49.74 -169.5 0.19 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 59.35 47.99 10.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 122.403 0.281 . . . . 0.0 111.267 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.23 -27.09 74.07 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.27 -50.73 17.74 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.35 -16.35 64.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -69.95 -68.53 0.41 Allowed 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -50.45 -39.69 37.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.63 98.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.96 99.53 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.876 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -69.14 -19.75 64.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 122.878 0.471 . . . . 0.0 110.931 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -77.84 -34.72 51.72 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.02 -43.2 86.58 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.8 -27.89 64.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 -49.24 49.1 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -77.41 -21.86 71.74 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.13 -56.0 7.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.55 -48.7 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.67 -54.0 47.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -51.58 -44.53 62.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.348 0.405 . . . . 0.0 110.35 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.38 -56.62 18.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -56.85 -41.47 77.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 O-C-N 123.206 0.317 . . . . 0.0 110.157 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -72.23 -48.46 42.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.91 -42.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.68 -50.6 34.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -49.48 -48.05 48.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.667 0.604 . . . . 0.0 111.298 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.14 98.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -31.12 68.73 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.4 93.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.61 98.22 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.102 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.25 -27.03 68.71 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.9 -34.91 62.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.11 -38.36 75.6 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -60.46 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.79 -32.01 67.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.54 -77.78 0.15 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 108.501 -1.84 . . . . 0.0 108.501 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.97 -42.38 2.23 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.614 1.102 . . . . 0.0 115.198 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.7 -51.54 69.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.665 1.733 . . . . 0.0 108.253 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.4 -48.9 71.05 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.137 0.575 . . . . 0.0 111.993 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.47 -57.77 10.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -18.36 21.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -80.47 -47.79 13.8 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.51 -30.3 68.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.49 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.1 -48.66 6.36 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 31' ' ' PHE . . . -62.31 -35.82 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -42.11 87.15 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.717 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -76.07 0.14 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.92 66.48 9.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' A' ' 27' ' ' VAL . . . -47.66 151.56 0.83 Allowed 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.726 0.641 . . . . 0.0 111.564 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -160.61 -7.56 0.05 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.447 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 77.02 -51.93 0.56 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.94 0.496 . . . . 0.0 110.282 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.62 -48.9 77.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.008 0.123 . . . . 0.0 110.693 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.6 80.09 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.47 68.5 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -50.5 -48.06 57.05 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.328 0.392 . . . . 0.0 111.051 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.35 -28.81 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -68.99 -45.05 71.58 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.06 -41.55 68.27 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.28 -51.56 67.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.33 -36.77 78.73 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.03 -65.92 0.49 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.66 -46.73 2.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.297 1.039 . . . . 0.0 112.799 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.74 -38.82 72.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -71.35 -40.35 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.03 -49.32 51.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.806 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 178.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -34.21 2.89 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.095 0.872 . . . . 0.0 111.288 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.01 -55.39 14.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -55.25 -48.14 74.39 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.68 -48.2 75.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.3 -39.53 65.11 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.46 -66.67 0.35 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.163 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.0 -35.72 3.06 Favored 'General case' 0 C--N 1.341 0.202 0 O-C-N 124.1 0.875 . . . . 0.0 110.739 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.14 -68.93 1.37 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.72 -46.03 40.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.164 0.567 . . . . 0.0 111.019 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.59 49.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.193 0.308 . . . . 0.0 111.009 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.74 -38.34 69.66 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.25 99.21 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 123.731 0.644 . . . . 0.0 110.412 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.28 -43.01 53.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.593 0.711 . . . . 0.0 109.307 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.58 -36.09 63.02 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.359 -1.292 . . . . 0.0 109.68 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.13 -65.09 3.61 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 114.0 -1.455 . . . . 0.0 109.958 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.5 92.84 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.08 75.4 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 117.217 0.508 . . . . 0.0 109.961 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.98 -41.87 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.51 -48.85 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.14 79.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.429 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -59.81 -37.25 78.62 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.17 -50.45 64.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.779 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.39 162.38 1.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 57.56 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 119.735 -0.174 . . . . 0.0 110.729 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.779 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -100.53 -100.2 2.36 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -153.1 127.88 9.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.108 0.48 . . . . 0.0 111.418 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.04 -15.66 58.69 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -29.05 35.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.961 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -73.25 -36.19 66.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.576 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -80.05 -26.54 39.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.59 -48.97 6.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.22 -35.2 66.26 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.961 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.76 -54.1 40.61 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.715 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.73 -27.02 67.61 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.75 0.42 . . . . 0.0 111.47 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.97 -31.58 61.49 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.55 -41.67 90.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.64 -27.8 61.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.09 -53.55 36.16 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.89 -20.08 74.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.11 -59.8 2.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.07 -45.81 93.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.76 -44.84 82.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.39 74.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.77 -52.36 65.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.381 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -65.42 -61.45 2.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 O-C-N 123.679 0.612 . . . . 0.0 110.603 179.676 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.31 -51.08 26.35 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.77 -36.43 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.94 -50.48 19.85 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.48 -42.2 64.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.5 0.5 . . . . 0.0 110.277 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.15 94.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.1 -28.0 67.48 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.0 -37.63 88.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -45.16 66.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.16 -24.05 57.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.65 -38.58 33.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -23.46 62.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.7 -68.63 0.46 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.38 -30.88 65.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.35 69.13 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.42 -40.35 97.68 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.438 ' CB ' ' CB ' ' A' ' 42' ' ' LYS . . . -57.88 -51.86 67.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.82 -49.13 40.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.202 0.601 . . . . 0.0 111.893 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -66.71 -62.97 1.17 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.619 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -32.84 36.13 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 123.551 0.532 . . . . 0.0 109.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.419 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -74.65 -42.38 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.751 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -64.76 -44.31 90.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.13 -48.07 21.31 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.15 -51.14 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.98 63.78 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -67.84 -37.25 81.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.61 -100.59 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.84 -123.46 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -87.25 -160.88 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.72 0.408 . . . . 0.0 110.062 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 51.44 -69.03 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.499 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -46.34 -61.51 1.76 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.427 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -53.86 -65.39 0.58 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.2 -70.22 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.7 -61.77 1.93 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.521 0.329 . . . . 0.0 111.733 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.07 -50.49 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 122.878 0.471 . . . . 0.0 112.173 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.97 -42.67 99.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -48.77 -56.95 7.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -56.46 21.97 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' CB ' ' CB ' ' A' ' 20' ' ' SER . . . -61.89 -52.44 64.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.378 -0.201 . . . . 0.0 111.371 -177.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -49.56 -57.14 7.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.33 0.652 . . . . 0.0 109.843 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.93 -45.0 10.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.411 0.444 . . . . 0.0 110.281 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' LEU . . . -57.88 -43.35 85.98 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -52.98 -35.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -66.61 107.05 1.97 Allowed 'General case' 0 CA--C 1.512 -0.487 1 N-CA-C 93.643 -6.429 . . . . 0.0 93.643 170.296 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.852 0 CA-C-N 119.39 0.995 . . . . 0.0 113.681 -165.651 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.135 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.89 -42.57 17.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 123.579 0.55 . . . . 0.0 111.723 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.73 -60.95 2.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.588 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -50.83 -42.65 58.65 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 123.692 0.62 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.12 -47.39 78.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.65 -37.03 74.07 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.38 -62.45 1.65 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -52.34 -39.68 60.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.28 -63.03 4.29 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 107.136 -2.386 . . . . 0.0 107.136 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -51.3 -40.93 60.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.489 -0.856 . . . . 0.0 109.497 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.58 -53.54 50.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 123.311 0.382 . . . . 0.0 111.184 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.35 -40.57 71.41 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.89 -41.13 86.41 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.99 -39.12 54.9 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -72.56 -35.38 67.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.614 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.01 -69.59 1.12 Allowed Glycine 0 CA--C 1.526 0.761 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.871 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.83 91.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.0 67.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.849 0.824 . . . . 0.0 110.396 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -62.73 -37.03 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.18 -52.03 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.71 74.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.333 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.99 -40.82 67.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -53.85 -53.51 51.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -72.71 -45.12 60.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.77 71.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.113 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 75.76 -162.97 53.32 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 72.88 125.13 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.553 0.341 . . . . 0.0 110.631 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.16 -13.2 83.18 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.03 -55.42 4.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.21 65.92 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -66.6 -66.86 0.5 Allowed 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.26 -37.82 25.11 Favored Glycine 0 C--N 1.337 0.636 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.42 94.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.03 66.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.657 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.419 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -61.93 -21.11 64.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.18 -37.02 34.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.07 -41.75 75.59 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.428 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.64 -28.42 61.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.07 -43.56 71.67 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.38 -25.33 59.29 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.75 -43.94 91.71 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.71 -47.44 39.47 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.601 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.88 -52.22 65.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.33 77.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.76 -45.84 70.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.244 0.34 . . . . 0.0 110.089 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.26 -70.92 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 O-C-N 123.248 0.343 . . . . 0.0 110.209 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.45 -54.55 16.25 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.28 -36.03 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.56 -50.67 34.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.75 -47.5 59.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.562 0.539 . . . . 0.0 111.163 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.53 97.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.07 -31.67 69.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.16 -37.91 89.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.84 92.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.89 -28.8 67.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -70.9 -40.06 72.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.07 -38.84 92.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -56.98 -64.71 0.79 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.17 -33.32 65.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.0 -74.48 0.33 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.79 -42.81 2.21 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.504 1.049 . . . . 0.0 114.421 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.86 -51.62 68.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.928 1.364 . . . . 0.0 108.01 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.57 -48.34 77.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.181 0.592 . . . . 0.0 112.521 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.54 -58.22 8.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.835 0.35 . . . . 0.0 110.299 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -20.72 59.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.979 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.12 -42.79 22.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.232 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.95 -31.9 56.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.546 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.23 4.67 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.55 -47.98 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.57 -37.08 85.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.019 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.15 -30.77 58.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.791 0.269 . . . . 0.0 110.508 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -121.72 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.93 -155.28 0.27 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -146.33 -171.65 3.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.976 0.797 . . . . 0.0 110.553 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 70.74 -85.31 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.23 -53.86 49.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -54.9 -49.74 70.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 122.301 0.24 . . . . 0.0 110.806 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.38 63.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.373 0.421 . . . . 0.0 109.935 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.89 -48.88 66.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.225 0.328 . . . . 0.0 110.437 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -38.24 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.534 0.206 . . . . 0.0 111.044 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.89 -42.13 97.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.04 -45.5 64.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.009 0.818 . . . . 0.0 109.563 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.02 38.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.34 -33.59 72.63 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.6 -60.36 3.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.88 -40.9 2.26 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.774 1.296 . . . . 0.0 110.078 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -62.35 -50.34 71.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.94 -44.7 95.06 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -79.06 70.74 5.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 103.369 -2.826 . . . . 0.0 103.369 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 -175.673 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.317 0.103 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.37 -45.47 17.77 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.973 0.509 . . . . 0.0 111.877 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.96 -56.36 17.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -53.27 -31.34 43.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 83' ' ' ALA . . . -58.63 -57.87 11.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.37 -6.4 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 81' ' ' PHE . . . -80.57 -74.27 0.32 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.23 -37.39 10.34 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 123.864 0.728 . . . . 0.0 110.462 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.9 -63.68 4.79 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.849 -2.9 . . . . 0.0 105.849 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.37 -47.68 18.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 124.606 0.827 . . . . 0.0 110.89 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.48 -55.1 28.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.379 0.272 . . . . 0.0 111.505 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.6 -44.65 73.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.55 -42.2 78.12 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.62 -44.13 57.11 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.551 0.691 . . . . 0.0 109.165 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -71.65 -36.89 70.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.507 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.34 -67.14 2.37 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.531 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.92 98.21 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.38 -38.61 66.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.215 0.508 . . . . 0.0 110.177 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.27 -41.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.24 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.06 -57.39 13.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.15 63.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.48 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.99 -52.2 66.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.32 -41.47 62.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.95 -104.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.25 36.7 0.02 OUTLIER Glycine 0 C--N 1.336 0.572 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.413 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -101.12 90.86 4.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.668 0.787 . . . . 0.0 110.006 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.1 -25.59 57.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.85 36.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.652 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -73.54 -34.91 65.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.01 -28.17 39.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.87 -46.65 10.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.87 70.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.652 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.57 -53.14 56.42 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.46 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.3 -28.99 68.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.354 0.262 . . . . 0.0 111.037 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.01 -32.95 65.46 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.84 -45.24 95.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.65 -28.02 67.36 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.12 52.61 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 108.859 -1.697 . . . . 0.0 108.859 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -55.48 -65.89 3.23 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -47.44 -64.76 0.7 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.879 0.339 . . . . 0.0 111.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -57.45 -70.57 0.12 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.29 -67.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.27 -39.85 22.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -58.62 -50.47 73.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -63.84 -45.91 87.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 C-N-CA 123.353 0.661 . . . . 0.0 112.183 -179.431 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.14 -51.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.94 -40.83 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.511 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -50.36 35.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.61 -47.57 66.87 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 123.446 0.466 . . . . 0.0 110.714 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.16 92.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.2 -28.42 67.96 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -67.05 -39.48 86.92 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.36 91.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.76 -28.06 67.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.63 -31.31 61.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.9 -36.8 75.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.05 -65.11 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.39 -34.99 67.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.97 -73.72 0.41 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.81 -41.79 1.95 Allowed Glycine 0 C--N 1.338 0.692 0 C-N-CA 124.332 0.968 . . . . 0.0 114.476 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.12 -55.81 29.36 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 118.959 1.38 . . . . 0.0 108.384 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.28 -48.06 46.32 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.601 0.761 . . . . 0.0 113.007 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.21 -57.48 6.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.71 -29.25 67.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.449 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.2 -28.03 38.73 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.699 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.19 -61.25 1.96 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.064 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -38.96 96.73 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -65.22 -36.24 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.23 69.49 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.55 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -79.99 -26.45 39.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.19 -117.7 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -92.48 -156.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.68 77.61 0.98 Allowed 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.533 0.521 . . . . 0.0 110.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.72 -91.97 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.65 -53.56 55.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -55.41 -48.98 73.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.616 0.189 . . . . 0.0 110.816 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.36 56.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.452 0.47 . . . . 0.0 110.052 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.72 -49.61 62.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 123.326 0.391 . . . . 0.0 110.64 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.75 -35.98 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.546 0.212 . . . . 0.0 111.071 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.47 -42.85 95.67 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -52.18 -45.11 64.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.074 0.859 . . . . 0.0 109.185 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.6 -54.26 43.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.53 -32.96 73.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.01 -60.61 3.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.66 -44.21 3.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 124.643 1.215 . . . . 0.0 110.144 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.93 -46.14 74.91 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.3 -37.03 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.36 5.91 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 102.505 -3.146 . . . . 0.0 102.505 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -172.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.8 -39.61 5.43 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 123.779 0.674 . . . . 0.0 111.704 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -58.68 -45.58 89.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.46 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.46 -52.27 65.33 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.46 -38.36 34.59 Favored Glycine 0 C--N 1.339 0.703 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.91 -64.72 0.74 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -41.31 -36.1 0.75 Allowed 'General case' 0 C--N 1.34 0.191 0 O-C-N 124.49 1.119 . . . . 0.0 111.338 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.88 -69.38 1.28 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.12 -49.43 16.67 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 124.749 0.911 . . . . 0.0 110.995 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.97 -54.81 29.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.528 0.331 . . . . 0.0 111.417 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.38 -44.6 72.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.05 -42.45 85.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.283 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -51.42 -49.1 62.31 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.309 0.576 . . . . 0.0 110.309 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -72.08 -34.52 68.75 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.014 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.93 -67.55 2.15 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.04 91.4 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.839 -0.505 . . . . 0.0 111.839 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -67.24 -34.7 78.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 117.649 0.725 . . . . 0.0 110.219 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.574 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -67.27 -43.36 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -66.86 -37.84 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -53.77 42.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.42 72.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.42 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.12 1.78 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.15 -38.96 42.47 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -77.8 -146.05 2.6 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.06 -178.26 4.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.986 0.914 . . . . 0.0 109.104 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.52 -19.16 74.36 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.08 35.63 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.87 -34.48 62.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.836 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -79.14 -26.62 42.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.64 -44.75 11.96 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.09 63.99 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.34 77.32 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -59.74 -32.83 70.92 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 122.772 0.429 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.31 -27.27 62.33 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.91 -43.69 98.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -71.68 -25.45 62.11 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.909 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.53 -54.9 17.05 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -75.34 -21.78 77.07 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.3 -60.43 2.99 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.65 -47.54 80.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.31 -40.52 78.05 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -57.92 -45.47 86.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.57 -45.94 77.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -66.62 -63.34 1.09 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 O-C-N 123.4 0.438 . . . . 0.0 110.725 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.14 -48.91 49.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.08 -40.93 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.257 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -51.43 26.2 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.47 -45.24 56.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.647 0.592 . . . . 0.0 110.87 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.78 96.38 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -30.59 68.31 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -38.17 89.1 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.3 -43.33 77.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.189 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.9 -40.57 46.88 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.99 -30.62 70.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.79 -67.43 0.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.08 -30.55 66.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.74 -24.82 76.63 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -40.64 25.56 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.684 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.06 -49.67 76.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.31 -45.81 83.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.475 0.71 . . . . 0.0 112.675 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.98 -64.28 0.89 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.775 0.321 . . . . 0.0 110.618 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -18.6 11.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.684 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.22 -48.1 13.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.85 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.87 -28.81 65.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.405 0.282 . . . . 0.0 111.41 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.17 -49.52 5.89 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.98 -47.11 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.06 96.78 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.56 -24.59 49.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.13 -138.3 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.03 101.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -177.04 -92.13 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 166.05 -37.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.39 -48.1 81.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.301 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.96 -52.32 66.0 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 122.051 0.14 . . . . 0.0 110.735 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -51.34 39.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.427 0.455 . . . . 0.0 110.666 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.6 -47.93 66.6 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 123.314 0.384 . . . . 0.0 109.975 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.51 -39.36 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.13 -42.31 99.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.85 61.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.05 0.844 . . . . 0.0 109.598 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -49.71 68.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.59 -35.52 76.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.49 -56.14 23.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.87 -47.77 4.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.382 1.051 . . . . 0.0 110.781 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.38 -46.16 69.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.817 0.28 . . . . 0.0 110.857 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -64.61 -43.36 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.98 66.57 2.84 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 101.757 -3.423 . . . . 0.0 101.757 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -173.23 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.23 -42.05 6.27 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.239 0.472 . . . . 0.0 112.098 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.4 -62.29 1.46 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -52.09 -45.3 64.78 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.1 -50.19 71.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.99 -38.87 56.18 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.08 -66.15 0.45 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.96 -35.8 3.06 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 123.921 0.763 . . . . 0.0 111.224 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.67 -74.51 0.31 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.34 -46.26 12.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 124.249 0.617 . . . . 0.0 111.222 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.67 71.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.66 -47.79 70.04 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -62.14 -35.05 77.58 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.986 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.85 -49.73 65.2 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.7 -37.22 62.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.366 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.2 -64.38 4.06 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.35 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.04 67.44 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 123.207 0.432 . . . . 0.0 112.21 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.31 -32.24 72.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 117.556 0.678 . . . . 0.0 109.935 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.9 -46.02 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -72.25 -38.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.82 -54.97 41.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -66.84 -56.91 8.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.28 -49.86 60.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.509 0.324 . . . . 0.0 111.736 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -65.08 -51.59 60.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.47 12.95 0.1 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.28 102.68 0.67 Allowed Glycine 0 C--N 1.337 0.634 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 171.41 67.73 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.43 58.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 -32.68 35.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -71.14 -33.13 69.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.45 -66.32 0.56 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.75 62.63 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.029 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.1 -59.54 2.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.938 0.369 . . . . 0.0 111.585 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.55 -48.52 81.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 109.875 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.41 -22.6 66.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.0 -34.64 64.26 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.52 -43.9 96.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.35 -28.03 67.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 -55.34 16.52 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.12 -20.1 76.19 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.23 -60.34 2.28 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.0 -46.82 82.83 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.22 -59.47 4.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.89 -61.24 1.82 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 123.573 0.546 . . . . 0.0 111.831 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.0 -61.07 2.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -52.9 -56.96 12.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 123.17 0.588 . . . . 0.0 111.909 -179.148 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.79 -32.03 46.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -65.73 -52.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.797 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.8 -50.73 40.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.77 -49.16 58.87 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 123.647 0.592 . . . . 0.0 111.026 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.59 88.93 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.3 -32.1 70.9 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.37 -39.33 94.24 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.19 99.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.833 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -63.31 -27.44 69.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.66 -39.46 67.1 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.17 -38.16 89.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.27 -64.22 1.02 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.4 -31.45 63.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.67 -75.2 0.29 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.53 -42.53 1.95 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 124.26 0.933 . . . . 0.0 114.67 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -61.69 -54.72 38.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.656 1.728 . . . . 0.0 108.823 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.5 -52.64 21.45 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.594 0.758 . . . . 0.0 113.009 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.91 -52.75 58.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.39 -26.25 66.36 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.048 0.451 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.435 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.16 -35.32 36.7 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.6 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.57 -59.04 3.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.238 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.78 97.12 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.139 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.46 -33.86 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 118.105 0.952 . . . . 0.0 108.957 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.97 64.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.56 -15.99 55.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.572 0.349 . . . . 0.0 110.202 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -140.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.421 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 178.17 60.45 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -143.33 -99.4 0.12 Allowed 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 123.919 0.762 . . . . 0.0 109.06 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 170.73 -37.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.93 -55.13 29.79 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.565 0.346 . . . . 0.0 111.761 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.73 65.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.303 0.241 . . . . 0.0 111.289 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.39 -55.51 12.75 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.447 0.467 . . . . 0.0 110.889 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.08 -52.34 44.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.246 0.341 . . . . 0.0 111.174 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.05 -37.09 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 120.58 0.228 . . . . 0.0 111.085 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.83 -44.35 93.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.57 -44.44 56.75 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.037 0.835 . . . . 0.0 109.453 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.42 -51.3 65.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.96 -32.44 72.87 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.15 -57.56 11.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.98 -42.37 1.36 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 125.104 1.502 . . . . 0.0 109.295 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.88 -45.98 82.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.738 -0.602 . . . . 0.0 111.079 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.3 -44.48 83.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.57 84.65 3.25 Favored 'General case' 0 CA--C 1.514 -0.406 1 N-CA-C 98.263 -4.717 . . . . 0.0 98.263 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.735 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.55 -37.32 12.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.56 0.344 . . . . 0.0 111.815 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -64.91 -44.65 88.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -61.8 -45.12 95.21 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.57 -48.23 77.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -49.77 -41.14 34.95 Favored Glycine 0 C--N 1.339 0.701 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.96 -65.65 0.53 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.188 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.31 -36.07 0.31 Allowed 'General case' 0 C--N 1.342 0.271 0 O-C-N 125.084 1.49 . . . . 0.0 110.383 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.74 -72.19 0.64 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 106.259 -2.737 . . . . 0.0 106.259 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.6 -54.79 3.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 112.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.62 -53.54 45.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -38.86 74.31 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.86 -41.74 92.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.361 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.38 -57.25 13.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.282 0.233 . . . . 0.0 110.891 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.453 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -68.29 -32.18 72.14 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.72 -65.96 3.13 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.94 -39.42 96.48 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -25.3 62.07 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 117.775 0.787 . . . . 0.0 110.564 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.404 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -73.85 -39.53 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -68.47 -33.27 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.26 -46.01 68.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -77.49 -29.66 52.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.42 -49.2 67.54 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.75 -59.52 2.74 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.02 158.13 33.73 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.603 0.239 . . . . 0.0 110.431 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -52.09 90.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 176.42 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.37 -23.04 57.42 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.92 -69.53 0.3 Allowed 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.96 -10.89 15.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.437 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -77.99 -34.31 50.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.55 42.43 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 108.376 -1.889 . . . . 0.0 108.376 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.7 62.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.02 -50.33 62.44 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -71.01 -24.49 62.38 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -66.82 -45.29 78.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.33 -39.61 94.25 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.453 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -59.78 -40.66 89.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.22 -51.77 56.09 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.44 -69.42 1.25 Allowed Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.98 -67.45 0.28 Allowed 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.11 -68.08 0.36 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -50.49 -66.74 0.34 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.944 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 123' ' ' ASP . . . -47.3 -52.74 15.43 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 123.685 0.616 . . . . 0.0 111.323 -178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.496 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . -37.76 -63.05 0.49 Allowed 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 114.515 -2.659 . . . . 0.0 105.163 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -60.77 -70.5 0.18 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 127.73 3.144 . . . . 0.0 111.903 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 102.88 -3.007 . . . . 0.0 102.88 173.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.425 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.41 -45.9 61.57 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.12 -39.16 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.88 -48.93 56.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.56 -44.45 69.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 123.476 0.485 . . . . 0.0 110.023 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.88 99.45 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.41 -29.26 68.86 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.57 -38.73 92.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.73 73.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -57.4 -27.37 62.3 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.45 -39.61 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.73 -27.85 67.95 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.35 -68.45 0.39 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.38 -31.74 67.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.75 71.84 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.36 -40.3 33.76 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.26 -51.36 69.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.56 -38.08 71.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.893 0.477 . . . . 0.0 110.721 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.97 -66.38 0.55 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.352 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -54.7 -22.71 14.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.927 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.683 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.21 -43.74 20.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.92 -32.82 65.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.81 4.73 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 108.546 -1.822 . . . . 0.0 108.546 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -59.44 -45.75 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -58.72 -41.07 85.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.177 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -71.13 -30.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -136.48 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -173.58 78.74 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.75 -160.23 0.95 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.72 -26.69 0.73 Allowed 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.928 0.767 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -61.6 -45.85 92.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.44 81.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.34 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.76 58.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.266 0.354 . . . . 0.0 110.972 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -55.24 -47.63 75.1 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.98 -42.66 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.57 -42.04 98.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 96' ' ' ILE . . . -50.99 -53.48 32.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.736 0.648 . . . . 0.0 110.523 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.32 -44.71 65.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.37 -48.25 82.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.58 -63.01 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.261 0.625 . . . . 0.0 112.005 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -49.43 -48.25 47.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.43 -52.16 42.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.44 -69.78 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.5 -40.93 98.36 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -175.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.039 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 79' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.8 -13.77 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.184 0.927 . . . . 0.0 108.759 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 77' ' ' ASN . . . -74.19 -43.13 58.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' ASN . . . -65.04 -49.89 68.34 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.96 -48.7 77.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.19 -39.41 42.32 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.55 -66.93 0.31 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.691 -0.671 . . . . 0.0 109.26 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.81 -34.92 0.29 Allowed 'General case' 0 C--N 1.343 0.311 0 O-C-N 124.526 1.141 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.2 -70.9 0.84 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 106.375 -2.69 . . . . 0.0 106.375 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.64 -52.34 8.27 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.373 0.69 . . . . 0.0 111.724 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.08 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.424 0.289 . . . . 0.0 110.823 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.92 -49.15 66.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.2 -33.63 72.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.365 0.266 . . . . 0.0 111.062 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.41 -53.81 53.91 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.725 0.693 . . . . 0.0 110.229 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.426 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -72.0 -35.23 69.41 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.706 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.88 -61.8 6.95 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.78 93.38 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.5 -29.78 66.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 117.791 0.796 . . . . 0.0 109.07 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -66.03 -44.7 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.428 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -63.94 -33.6 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.1 96.76 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -66.31 -36.32 82.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.84 63.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.35 -49.84 73.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -14.97 14.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.344 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.97 20.83 72.45 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.43 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -87.56 89.18 7.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.74 -29.69 67.75 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.5 -29.24 37.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -76.89 -29.49 55.8 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -67.92 -63.8 0.99 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -58.37 -30.66 65.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.96 -58.51 3.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.828 0.314 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.22 78.64 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.18 -25.79 67.88 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.579 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -71.82 -35.73 70.02 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.55 -43.63 98.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -64.05 -29.65 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.58 11.83 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.08 -19.47 70.05 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.85 -65.0 0.82 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.82 -49.1 77.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.953 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.68 -68.06 0.21 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.253 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.16 -29.52 22.53 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 123.131 0.269 . . . . 0.0 111.445 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -62.87 -48.92 76.92 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.37 -41.8 60.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.399 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 123.288 0.635 . . . . 0.0 111.529 -179.598 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.61 -51.32 28.95 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.57 -42.44 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.391 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.07 -51.46 31.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.38 -46.91 62.97 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 123.63 0.581 . . . . 0.0 110.9 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.91 97.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -29.85 67.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.47 -38.55 90.13 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.81 76.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.177 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.49 -28.54 65.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.67 -41.01 65.84 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -63.01 -34.46 77.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.23 -65.8 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.92 -38.34 70.13 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.55 -21.8 74.74 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.55 -40.26 27.89 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.36 -49.52 76.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.28 -53.21 37.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.4 0.68 . . . . 0.0 112.524 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.39 -57.03 14.5 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.855 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -22.3 59.79 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.596 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.31 -42.54 22.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.819 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.04 -36.87 64.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.613 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.35 -50.23 6.83 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -60.58 -33.66 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -64.07 -41.79 97.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -73.61 -26.49 60.82 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -143.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.164 0.186 . . . . 0.0 111.373 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -135.81 -61.12 0.72 Allowed 'General case' 0 C--N 1.34 0.192 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -48.93 174.93 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.072 0.549 . . . . 0.0 111.908 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.71 -4.78 11.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.967 0.907 . . . . 0.0 110.21 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -57.14 -48.18 79.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -62.26 -52.17 64.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.59 -53.91 21.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.84 0.456 . . . . 0.0 111.113 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.85 -45.37 70.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -34.45 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.0 -44.72 79.62 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.59 -45.66 66.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.015 0.822 . . . . 0.0 109.374 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.1 66.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.47 -36.26 81.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.51 -66.11 0.47 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.86 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -41.32 -40.92 1.8 Allowed 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 124.62 1.2 . . . . 0.0 110.214 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -55.5 -42.08 73.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.642 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.55 -45.55 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.522 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -70.47 -29.89 66.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.86 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.611 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.68 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.13 -30.71 2.02 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.155 0.909 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.99 -53.75 34.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -58.9 -49.32 78.24 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.32 -55.72 25.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.37 -37.66 40.11 Favored Glycine 0 C--N 1.337 0.602 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.91 -65.31 0.59 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.45 -36.72 3.04 Favored 'General case' 0 C--O 1.226 -0.149 0 O-C-N 123.961 0.788 . . . . 0.0 111.183 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.26 -72.97 0.46 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -43.71 -46.3 7.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.631 0.842 . . . . 0.0 110.992 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.25 67.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.223 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.8 -52.25 42.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.44 -36.9 79.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.935 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.03 -52.95 37.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.999 0.428 . . . . 0.0 110.013 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.48 -34.46 63.11 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.417 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.19 -67.42 2.22 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.96 93.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.59 75.59 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.42 -45.0 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 122.933 0.493 . . . . 0.0 110.673 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -66.41 -35.17 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.42 22.35 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.372 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -71.59 -38.65 70.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.187 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.429 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -57.27 -56.01 27.35 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -54.33 -49.45 69.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.15 -18.26 50.23 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -111.08 -120.39 4.03 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -179.83 -162.38 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.26 -30.92 18.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.7 -75.33 0.08 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.69 0.281 . . . . 0.0 111.399 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.37 94.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.488 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -64.21 -47.48 79.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.281 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.36 -34.9 82.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.98 -58.68 3.78 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.187 0.518 . . . . 0.0 109.791 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.28 -37.16 74.46 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.58 -29.2 68.5 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.053 0.541 . . . . 0.0 111.606 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.91 -30.8 61.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.79 -49.45 70.64 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -59.73 -36.71 77.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.04 -86.35 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.79 -33.29 0.39 Allowed Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.579 0.609 . . . . 0.0 113.706 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -61.93 -61.5 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 117.798 0.799 . . . . 0.0 109.433 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -58.72 -40.9 85.08 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.38 -41.65 94.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.33 88.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.8 -44.58 86.43 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.91 -71.14 0.09 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -76.18 -43.22 43.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.42 -41.08 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.11 -51.59 20.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.03 -45.52 61.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.558 0.537 . . . . 0.0 110.794 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.08 97.59 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.46 -28.58 67.12 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.93 -38.5 91.18 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.45 92.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.39 -26.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.82 -32.95 57.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -74.03 -27.86 61.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.34 -65.9 0.62 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -63.51 -28.41 69.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -32.74 62.55 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.85 -40.09 26.84 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.4 -53.32 59.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.35 -47.99 74.89 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.819 0.847 . . . . 0.0 113.285 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.73 -61.92 1.99 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.649 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -22.98 53.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.631 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -78.86 -47.64 16.17 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.298 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.45 -32.56 70.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.598 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.3 -54.29 3.83 Favored Glycine 0 C--N 1.336 0.554 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.19 -44.32 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -64.9 -35.01 79.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.611 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -78.59 -21.2 48.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.25 -136.78 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 179.18 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -176.19 -92.64 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 165.17 -35.69 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.61 -47.13 82.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.24 60.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.013 0.125 . . . . 0.0 110.734 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -52.47 34.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.367 0.417 . . . . 0.0 111.064 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.0 -46.33 61.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.371 0.419 . . . . 0.0 110.135 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -61.03 -35.67 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.56 -43.17 90.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.26 -41.56 60.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.011 0.819 . . . . 0.0 108.922 177.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.57 -52.22 65.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.98 -33.45 71.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -56.22 -63.48 1.17 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.45 -41.22 0.94 Allowed 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 125.205 1.565 . . . . 0.0 110.505 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.59 -45.75 88.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.104 -0.373 . . . . 0.0 110.488 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -69.04 -52.41 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -73.71 67.78 1.19 Allowed 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 100.593 -3.855 . . . . 0.0 100.593 176.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 -175.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 119.574 -0.25 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.4 -41.55 13.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 123.576 0.548 . . . . 0.0 112.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.94 -55.25 31.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.27 -42.55 70.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.274 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.65 -51.51 68.43 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.09 -38.37 47.68 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.91 -64.74 0.73 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.29 -35.8 2.48 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 124.075 0.859 . . . . 0.0 111.227 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -69.88 1.11 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 107.293 -2.323 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.31 -46.01 17.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.724 0.896 . . . . 0.0 110.472 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.11 -53.51 49.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.131 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.94 -45.53 74.87 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.63 -43.21 89.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.391 0.432 . . . . 0.0 110.439 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.16 -46.04 53.81 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 123.808 0.693 . . . . 0.0 109.719 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -32.46 62.72 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.064 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.51 -66.23 2.99 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.896 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.24 -38.01 93.42 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.29 87.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 117.112 0.456 . . . . 0.0 110.048 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.31 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.43 -36.29 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.98 21.14 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.12 -48.35 52.64 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.683 0.278 . . . . 0.0 111.113 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.47 57.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.72 -21.31 18.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.7 -100.87 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.99 -62.96 1.93 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.428 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.38 -151.03 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 117.43 0.615 . . . . 0.0 111.54 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.1 -20.88 1.52 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.165 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -73.62 0.11 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.964 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.83 75.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -58.46 -51.58 69.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.05 -41.28 94.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.13 -64.02 1.06 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.58 90.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.252 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.05 -17.69 64.85 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.333 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.93 -32.71 40.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.27 -42.84 92.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.444 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.91 -30.22 66.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.71 -54.37 31.78 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.77 -20.55 76.16 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.33 -63.62 1.24 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.77 -42.63 81.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.264 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.67 -61.13 2.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.156 0.182 . . . . 0.0 110.98 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.99 66.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.032 0.207 . . . . 0.0 110.515 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.18 -44.42 67.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -76.64 -56.53 4.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.109 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 C-N-CA 122.266 0.226 . . . . 0.0 110.814 -179.125 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.97 -49.08 40.36 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.59 -31.3 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.23 -52.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.92 -43.17 49.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.691 0.619 . . . . 0.0 110.803 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.6 89.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.31 -30.42 68.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.48 -36.98 84.2 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.76 73.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.35 -25.8 66.11 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.81 -42.51 33.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.67 -27.44 66.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.39 -67.02 0.48 Allowed 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.83 -28.42 67.46 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.81 -35.98 73.81 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.1 -40.33 83.17 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.72 -53.21 60.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.84 -48.83 63.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.52 -59.98 3.68 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.37 26.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.848 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -77.98 -47.27 18.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.628 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -66.27 -36.61 83.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.87 -49.38 7.77 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.84 -52.62 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.07 84.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.685 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.01 -19.0 48.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.655 0.207 . . . . 0.0 110.558 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -140.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.5 106.16 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 173.7 -89.85 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 167.24 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.16 -44.85 90.82 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.71 -53.57 56.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.79 -48.81 40.93 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.612 0.57 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.94 -47.1 68.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -54.75 -40.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.78 -41.76 98.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.99 -45.92 61.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.835 0.709 . . . . 0.0 110.219 177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.5 -54.84 41.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.95 -34.86 72.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.07 -62.31 1.74 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.56 -42.77 1.2 Allowed 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 125.219 1.575 . . . . 0.0 110.827 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.6 -45.21 89.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.807 -0.558 . . . . 0.0 110.343 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.65 -42.36 83.2 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 123.006 0.522 . . . . 0.0 111.373 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.31 68.73 3.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 101.476 -3.527 . . . . 0.0 101.476 172.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.044 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.85 -172.602 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.84 -33.35 4.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 124.104 0.877 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.47 -60.1 2.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.656 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -53.61 -45.41 70.07 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.19 -44.83 79.8 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.95 -38.54 85.46 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.769 -1.733 . . . . 0.0 108.769 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.11 -64.62 0.77 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.715 0.258 . . . . 0.0 110.389 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -50.91 -38.5 50.33 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -63.92 3.88 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 106.83 -2.508 . . . . 0.0 106.83 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.67 -40.44 39.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.749 -0.725 . . . . 0.0 109.72 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.11 -53.49 55.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.156 0.503 . . . . 0.0 111.153 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.59 -39.43 73.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.29 -41.96 85.54 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -51.31 -36.97 45.06 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.225 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.429 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -75.8 -36.75 59.63 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.201 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.22 -66.49 2.59 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.012 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.04 -35.92 84.89 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -54.64 -45.78 73.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 117.107 0.454 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.81 -41.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.15 -50.48 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.94 88.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.949 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.94 -41.63 83.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.459 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -46.0 81.92 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.56 -46.53 70.28 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -106.56 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.47 -157.2 27.93 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 66.5 140.68 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.11 -7.63 88.35 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.71 -61.74 1.65 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.44 83.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -70.37 -20.94 62.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.85 -51.42 4.8 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.2 86.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.17 21.47 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.165 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.51 -24.97 65.73 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.57 -36.24 44.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.41 -45.42 80.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -69.73 -28.46 65.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.571 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.21 67.25 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.51 -25.8 67.04 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.96 -54.11 17.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.59 -49.04 70.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.65 -55.01 34.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.36 -41.28 60.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.358 0.411 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.54 -52.55 61.7 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -64.25 -43.66 94.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.22 -53.34 14.74 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.76 -39.26 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.89 -48.32 54.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.29 -45.99 62.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 123.674 0.609 . . . . 0.0 110.721 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.79 98.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.35 -32.31 69.99 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.37 -38.48 87.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -43.43 82.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.015 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.18 -24.99 65.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.32 -37.37 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -28.5 65.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.23 -67.34 0.47 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.49 -32.17 70.02 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.29 -23.05 78.18 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.26 22.43 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.02 -49.56 76.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.04 -45.47 79.18 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.58 0.752 . . . . 0.0 112.193 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.46 -61.43 2.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -20.81 18.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.504 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.422 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.46 -41.81 23.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.971 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.29 -33.44 61.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.0 -47.21 8.65 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 107.187 -2.365 . . . . 0.0 107.187 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.48 -37.56 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -58.71 -41.71 86.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.12 -73.81 0.23 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.2 62.1 4.05 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.166 0.586 . . . . 0.0 110.394 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -71.28 -175.66 1.29 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 175.22 -62.81 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 168.79 -48.78 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.58 -48.51 79.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.568 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.52 -54.02 51.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.05 0.14 . . . . 0.0 111.042 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.95 24.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.388 0.43 . . . . 0.0 111.338 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.35 -46.98 69.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.029 0.205 . . . . 0.0 110.658 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -38.17 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.628 0.251 . . . . 0.0 110.979 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.55 -44.27 82.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -52.98 -46.03 68.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 123.872 0.732 . . . . 0.0 109.91 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.43 71.05 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.65 -39.66 89.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -52.97 -67.19 0.27 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.291 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.9 -42.54 3.73 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 124.272 0.982 . . . . 0.0 111.816 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.0 -40.75 77.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -73.31 -45.74 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.96 -61.46 2.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.287 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.435 0 C-N-CA 122.94 0.496 . . . . 0.0 111.264 -178.396 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -50.64 -39.3 50.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.491 0.316 . . . . 0.0 110.359 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -58.96 -50.39 74.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -55.59 -37.78 68.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.413 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.15 -50.72 70.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.07 -38.96 48.67 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.04 -66.88 0.32 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 119.093 -0.48 . . . . 0.0 109.794 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -42.34 -36.24 1.21 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.248 0.968 . . . . 0.0 111.244 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.82 -72.04 0.62 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.03 -48.34 11.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.368 0.687 . . . . 0.0 111.426 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.16 -50.49 61.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.509 0.324 . . . . 0.0 110.604 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.21 -42.13 76.7 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.65 -42.04 91.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.192 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.73 -47.6 59.23 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.248 0.546 . . . . 0.0 109.601 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -71.06 -35.47 71.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.465 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.61 -67.84 2.0 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.889 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.78 -37.82 92.62 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.14 -35.29 79.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 117.496 0.648 . . . . 0.0 110.348 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.53 -44.07 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -60.99 -37.91 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.95 -50.3 73.04 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.81 71.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.407 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -58.58 -52.46 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.32 -53.34 24.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.69 -23.19 16.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.73 16.3 80.26 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.406 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -81.69 87.32 6.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.05 -29.68 56.13 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.41 37.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.406 ' CB ' ' CB ' ' A' ' 103' ' ' ASP . . . -75.51 -40.55 56.92 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.757 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -77.96 -25.73 48.36 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.61 -46.76 11.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.11 71.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.36 60.43 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.91 -28.32 69.44 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.055 0.389 . . . . 0.0 111.152 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.42 -32.08 64.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.14 -42.64 98.91 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.402 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -72.2 -26.77 62.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.1 -56.05 18.18 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -75.08 -19.37 79.89 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.62 -64.75 0.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.16 -48.12 83.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.45 -49.46 72.42 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -55.04 -39.0 68.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.69 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.79 -54.82 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.143 0.177 . . . . 0.0 111.214 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.11 -56.41 8.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.87 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.25 -54.78 15.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.4 -35.77 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.262 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.22 -51.2 32.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.29 -46.58 46.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 123.787 0.679 . . . . 0.0 111.131 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.79 96.06 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.89 -30.14 67.54 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.04 -38.62 91.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.51 78.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.233 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.45 -26.1 66.5 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.22 -39.46 48.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.12 -29.75 68.74 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.87 -67.24 0.47 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.1 -31.65 69.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -21.94 78.76 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.4 -40.69 18.55 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.536 -1.825 . . . . 0.0 108.536 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.749 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.62 -47.53 84.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.39 -46.87 82.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.433 0.693 . . . . 0.0 112.483 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.73 -64.83 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 110.786 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.78 -20.21 14.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.749 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.24 -43.28 21.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.771 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.26 -33.46 67.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.142 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.18 -47.19 11.37 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.061 -2.016 . . . . 0.0 108.061 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.26 -36.76 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.76 91.09 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.146 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.93 -74.31 0.23 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.38 61.76 6.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 122.909 0.483 . . . . 0.0 110.112 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -73.41 -175.93 2.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.605 0.24 . . . . 0.0 110.484 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 172.98 -60.16 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 169.26 -49.36 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.553 0.533 . . . . 0.0 109.701 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.78 -48.0 76.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.718 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.61 31.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 122.036 0.135 . . . . 0.0 111.278 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.98 -53.13 35.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.575 0.35 . . . . 0.0 111.235 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.61 -46.93 67.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.044 0.215 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -64.36 -33.17 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.522 0.201 . . . . 0.0 110.781 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.68 -46.57 62.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.48 -43.37 75.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.818 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.72 78.04 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.37 -41.1 88.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.63 -64.22 0.89 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.28 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -48.59 -40.47 27.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -74.07 -47.55 35.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.456 0.571 . . . . 0.0 111.954 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.3 -66.22 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.49 -38.54 91.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.16 -178.357 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 111.218 0.081 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.28 -44.14 16.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.736 0.648 . . . . 0.0 112.259 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.44 -63.48 1.06 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -51.48 -46.74 63.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.63 -45.66 77.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.84 -39.55 77.96 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.5 -65.63 0.53 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.318 -0.373 . . . . 0.0 110.252 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.27 -35.75 8.23 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 123.893 0.746 . . . . 0.0 109.984 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.02 -65.52 3.18 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 106.57 -2.612 . . . . 0.0 106.57 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.89 -44.38 39.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.39 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.2 -52.74 50.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.2 -39.85 73.07 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.99 -41.62 83.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.62 -38.54 55.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.434 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -73.58 -36.54 65.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.36 -66.51 2.75 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 113.863 -1.517 . . . . 0.0 109.832 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.31 -39.31 96.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.79 72.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 117.252 0.526 . . . . 0.0 110.495 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -64.09 -40.36 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -55.24 -50.94 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.43 73.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.017 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.24 68.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.62 -48.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.93 -38.63 57.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.417 0.448 . . . . 0.0 110.272 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.12 -104.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.17 -53.56 0.24 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.88 129.33 3.48 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.28 -4.94 89.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.19 -44.29 18.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.05 -32.51 63.34 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.104 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.78 -62.47 1.85 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.94 93.07 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.19 -58.84 4.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.6 74.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.74 -22.17 66.06 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.619 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.68 -34.08 40.59 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.22 -42.39 95.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.434 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -68.97 -28.64 66.81 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.25 87.03 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.09 -23.62 61.06 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -66.54 -54.86 19.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.27 -46.8 79.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.81 -47.21 80.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.74 80.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.76 -47.15 74.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.406 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.88 -58.92 2.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.798 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 122.509 0.323 . . . . 0.0 110.83 -179.494 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.26 -40.93 58.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.96 -42.67 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.465 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.67 -52.92 17.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.58 -45.64 48.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.658 0.599 . . . . 0.0 111.003 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.18 95.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -28.41 66.77 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.71 -38.35 90.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.44 78.0 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.17 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.7 -26.64 68.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.03 -40.5 53.32 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.93 -26.07 64.9 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -67.37 -69.07 0.33 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.45 -28.63 68.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.42 -21.96 79.08 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.3 -39.77 18.0 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.034 -2.026 . . . . 0.0 108.034 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.53 -48.17 81.74 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.23 -43.76 92.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.381 0.673 . . . . 0.0 112.176 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.54 -61.11 2.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.75 -21.44 41.29 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.541 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.42 -43.86 20.27 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.43 -32.78 71.96 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.595 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.18 -47.42 7.01 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.397 -1.881 . . . . 0.0 108.397 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.27 -39.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.77 97.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.376 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -35.04 79.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.48 -125.33 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -121.64 -103.65 0.39 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 172.13 98.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -157.26 -105.56 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -67.32 -49.45 64.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.99 62.1 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.11 0.164 . . . . 0.0 111.045 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.11 -49.97 62.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.17 0.294 . . . . 0.0 110.631 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.77 -44.16 69.8 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.096 0.248 . . . . 0.0 110.392 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.51 -32.14 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.819 -0.173 . . . . 0.0 110.739 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -71.58 -46.53 59.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.92 -40.35 69.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.703 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.98 74.15 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.4 -43.52 92.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.46 -58.39 7.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.03 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.818 ' O ' ' CB ' ' A' ' 48' ' ' ALA . . . -51.2 -39.13 55.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -78.46 -50.28 11.94 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -75.66 -63.15 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -54.77 -24.76 24.02 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.045 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.818 ' CB ' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 C--N 1.341 0.208 0 C-N-CA 123.692 0.797 . . . . 0.0 112.438 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.41 -34.73 2.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 123.985 0.803 . . . . 0.0 111.804 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.96 -54.08 21.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -56.14 -49.72 73.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.94 -48.63 75.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.54 -39.3 59.98 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -66.18 0.43 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 119.17 -0.443 . . . . 0.0 109.997 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.8 -35.25 1.83 Allowed 'General case' 0 C--N 1.34 0.192 0 O-C-N 124.179 0.924 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.48 1.63 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.4 -47.08 37.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.958 -0.621 . . . . 0.0 110.959 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.37 50.42 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.335 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.86 -37.86 71.9 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.667 0.604 . . . . 0.0 110.652 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.17 -43.51 61.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.53 0.681 . . . . 0.0 109.422 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.06 -33.86 63.83 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.587 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.53 -64.81 4.03 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.262 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.66 -36.52 87.92 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.48 -38.01 71.14 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.546 0.673 . . . . 0.0 110.161 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.51 -41.95 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -55.74 -50.82 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.57 64.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.627 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.27 66.96 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.94 70.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -73.54 -51.24 17.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.39 -27.29 46.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.01 78.76 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -84.55 85.52 7.41 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -26.36 56.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.76 -31.57 35.83 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.79 -36.51 62.5 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.181 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.72 40.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 122.756 0.423 . . . . 0.0 110.389 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.21 12.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.09 -57.02 9.68 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.469 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.42 -26.59 66.82 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.93 -33.13 59.85 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -58.53 -42.37 87.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.68 -26.78 57.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.24 -57.6 14.75 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.93 -17.62 76.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.85 -55.66 12.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.22 -45.06 86.25 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.78 -46.76 84.13 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.77 74.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.74 -50.38 72.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.06 -61.62 1.84 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.376 0 O-C-N 123.49 0.494 . . . . 0.0 110.809 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.29 -37.12 45.59 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.49 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.5 -47.82 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.707 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.38 -50.29 40.36 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.12 -49.11 61.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.504 0.502 . . . . 0.0 111.19 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.15 -32.02 70.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.73 -38.88 92.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.52 92.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.064 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.15 -29.15 67.21 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -71.27 -38.49 71.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.49 -38.52 91.32 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.62 -64.69 0.85 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.29 -34.93 64.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.57 -72.17 0.63 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.71 -43.4 2.3 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 124.48 1.038 . . . . 0.0 114.142 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -59.25 -53.04 62.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 118.953 1.376 . . . . 0.0 108.078 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.75 -49.28 65.8 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.083 0.553 . . . . 0.0 111.922 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.13 -60.21 3.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.521 0.328 . . . . 0.0 111.218 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -20.78 22.86 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.16 -47.12 15.22 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.711 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.85 -30.18 66.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.243 0.217 . . . . 0.0 111.514 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -50.47 5.45 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.54 -46.95 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.75 92.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.65 -21.48 52.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -140.79 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.62 65.27 0.31 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -158.21 -157.9 0.67 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.87 -22.07 0.79 Allowed 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.922 0.764 . . . . 0.0 110.073 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.61 -47.14 85.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.99 75.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -50.23 56.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.342 0.401 . . . . 0.0 110.576 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.77 -46.25 67.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.25 -35.0 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.86 -44.34 85.71 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.33 -44.95 62.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.124 0.89 . . . . 0.0 109.11 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.31 -49.37 67.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.22 -34.87 77.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.94 -56.74 16.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -43.42 -45.29 6.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.324 1.015 . . . . 0.0 110.034 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -55.87 -48.55 75.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.556 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.91 -45.8 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.66 67.26 4.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 101.767 -3.42 . . . . 0.0 101.767 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -172.635 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.73 -31.03 2.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 124.145 0.903 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.78 -61.99 1.68 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.57 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -55.54 -42.62 74.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.51 -49.5 72.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.14 -37.89 55.27 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.82 -66.71 0.35 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 119.097 -0.478 . . . . 0.0 109.994 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.47 -34.55 1.36 Allowed 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.932 0.77 . . . . 0.0 110.845 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.81 -70.1 1.06 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 106.723 -2.551 . . . . 0.0 106.723 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.06 -48.66 16.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.387 0.698 . . . . 0.0 111.294 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.02 63.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.911 0.386 . . . . 0.0 110.475 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.24 -46.19 69.06 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.85 -37.75 80.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.95 -49.45 63.15 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -72.04 -36.32 69.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.932 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.89 -67.84 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.642 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.85 -37.71 94.64 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.59 -34.06 76.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 117.562 0.681 . . . . 0.0 110.032 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.67 -45.25 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.7 -37.31 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.91 28.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.5 67.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.69 -51.66 64.07 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.39 -39.25 60.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.3 -104.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 175.25 26.68 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -96.48 88.12 4.61 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.558 0.743 . . . . 0.0 109.582 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.17 56.74 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.01 37.34 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.698 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -76.56 -35.68 58.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.487 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -78.27 -29.32 47.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.14 -45.89 9.76 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.78 65.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.698 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.2 -50.3 70.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -59.96 -31.16 69.63 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 122.466 0.306 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.72 -30.04 63.86 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.27 -46.05 90.53 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.431 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -66.78 -25.96 66.73 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.62 36.15 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.41 -23.36 76.49 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -70.05 -56.06 7.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -60.46 -51.38 69.69 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.64 -44.07 76.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.0 -47.21 68.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.221 0.325 . . . . 0.0 110.288 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.27 -51.81 66.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.64 -40.05 82.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.43 -40.4 61.98 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.8 -44.59 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.575 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.72 -52.97 15.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.95 -44.41 63.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.497 0.498 . . . . 0.0 110.521 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.82 99.51 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -27.49 67.25 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.25 -38.47 87.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.6 69.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.6 -25.3 66.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.01 -40.49 38.81 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.98 -23.1 63.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.429 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -70.7 -68.59 0.42 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.29 -31.65 67.68 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.73 72.16 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.05 -40.29 62.27 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.739 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.72 -48.72 80.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.219 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -53.13 -49.43 66.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.503 0.721 . . . . 0.0 112.529 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.49 -65.03 0.74 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.98 29.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.739 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -79.12 -37.2 39.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.728 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.67 -38.97 58.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.407 0.283 . . . . 0.0 111.299 -178.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.98 -46.73 21.5 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -58.02 -47.57 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.65 68.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.899 179.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.56 -33.05 75.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.18 -95.72 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -153.15 -102.18 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 173.06 105.67 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.49 -106.38 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -69.09 -43.11 75.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.53 23.67 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.97 -49.39 50.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.78 0.432 . . . . 0.0 111.253 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.09 -44.07 78.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.08 -36.89 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -74.49 -51.08 15.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -53.62 -44.04 69.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.758 0.661 . . . . 0.0 109.501 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.3 91.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.07 -47.74 82.26 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.87 -55.34 31.49 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.064 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -48.74 -44.1 38.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.083 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -72.38 -48.6 40.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -80.45 -72.76 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.064 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -61.39 -37.51 83.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.044 -176.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.395 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.79 -35.45 22.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.448 0.467 . . . . 0.0 109.92 177.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.31 -53.97 49.92 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.56 -40.1 68.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.9 -48.61 75.34 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.11 62.76 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.11 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.08 14.11 Favored 'General case' 0 C--O 1.226 -0.147 0 O-C-N 123.573 0.545 . . . . 0.0 110.693 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.7 -70.2 0.98 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 177.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.27 -44.76 33.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 124.397 0.704 . . . . 0.0 110.756 177.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.0 -51.23 62.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.76 -42.87 68.69 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.14 -41.48 96.82 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.271 0.357 . . . . 0.0 110.417 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -49.66 -42.92 46.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.55 0.69 . . . . 0.0 109.147 178.227 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -75.82 -36.25 59.76 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.824 177.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.24 -66.43 2.73 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-N 114.018 -1.447 . . . . 0.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.06 -37.09 87.05 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -58.21 -40.0 80.47 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.37 -42.86 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -57.88 -44.72 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.58 -53.37 57.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.325 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.56 67.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.424 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -55.13 -54.36 44.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -66.07 -50.35 64.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.66 -23.89 44.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.84 24.59 76.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -91.95 91.9 8.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.88 -22.62 66.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.23 29.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.11 -34.3 70.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.663 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.73 40.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.719 0.408 . . . . 0.0 110.44 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.55 -47.19 12.78 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 178.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.94 81.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.29 -57.83 8.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.927 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -56.86 -28.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 122.717 0.407 . . . . 0.0 111.702 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.48 -34.59 65.4 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -56.7 -43.41 80.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.347 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.441 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.01 -27.64 60.21 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.741 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.5 -58.33 8.74 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.46 -22.12 77.85 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.33 -55.98 11.63 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.52 -46.97 80.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.32 -50.66 69.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.27 -43.46 61.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.47 0.481 . . . . 0.0 110.135 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.43 -50.84 66.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.95 -41.58 98.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.666 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.28 -44.35 59.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.66 -38.9 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.424 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.01 -51.97 14.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.69 -44.05 62.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.422 0.451 . . . . 0.0 110.573 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.53 98.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.47 -27.98 66.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.37 -38.78 88.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.28 76.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.84 -22.51 64.29 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.062 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.06 -43.15 22.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.116 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.8 -22.78 66.59 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -75.77 -65.36 0.91 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.6 -37.66 70.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.01 56.68 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.97 96.59 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.32 -50.99 71.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -47.27 -52.07 17.16 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.477 0.711 . . . . 0.0 112.682 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.04 -61.09 2.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -40.81 66.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 110.2 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -67.62 -51.94 44.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.519 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -58.86 -42.38 89.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.99 6.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.94 -55.36 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.24 -27.94 69.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -59.54 -77.04 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -37.86 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 O-C-N 125.003 1.439 . . . . 0.0 111.154 178.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -148.8 -62.94 0.24 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 177.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.417 ' CB ' ' CB ' ' A' ' 36' ' ' ALA . . . 73.6 -176.88 0.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.677 176.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 155.8 -73.86 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -178.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -79.43 -37.64 36.57 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.3 -57.31 5.48 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.322 179.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -53.97 -41.71 68.15 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.313 0.245 . . . . 0.0 110.546 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -59.36 -39.88 84.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -59.11 -35.83 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.68 -42.15 82.57 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.48 -44.19 68.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.23 0.956 . . . . 0.0 109.703 177.399 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.59 70.49 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.043 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -63.08 -46.11 88.96 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -50.79 -62.42 1.62 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.002 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -46.64 -45.36 19.11 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.777 0.673 . . . . 0.0 111.988 178.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.19 -39.62 66.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -74.88 -39.54 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.949 178.414 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -48.64 -48.11 39.83 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.595 0.758 . . . . 0.0 111.853 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.793 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.52 -23.26 0.92 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.701 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.17 -54.36 30.8 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -58.53 -42.92 88.85 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.14 -50.55 70.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.03 -37.65 54.33 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.075 -1.61 . . . . 0.0 109.075 178.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.56 -64.28 0.88 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.28 -35.6 5.44 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.565 0.541 . . . . 0.0 112.1 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.78 -68.19 1.82 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 107.879 -2.089 . . . . 0.0 107.879 177.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -47.1 -47.09 23.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.631 -0.785 . . . . 0.0 109.99 177.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.44 66.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.21 0.319 . . . . 0.0 110.921 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.41 -57.39 9.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.167 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.16 -54.85 42.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -39.55 -61.12 0.85 Allowed 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.832 1.333 . . . . 0.0 112.838 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.71 -22.79 66.06 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 111.963 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.51 -35.61 46.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.4 -35.45 47.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.4 79.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -61.45 -46.73 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -64.16 -30.64 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.37 -53.05 62.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.3 71.42 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 36' ' ' ALA . . . -55.68 -50.06 71.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.05 -46.42 71.16 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.63 -24.81 23.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.27 -69.63 0.22 Allowed Glycine 0 C--N 1.339 0.734 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -36.14 106.15 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.16 -0.42 86.0 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 177.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.65 -44.83 18.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.28 -29.83 38.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.605 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -73.48 -35.0 65.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.72 30.09 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.08 -42.45 56.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.87 -47.72 68.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.08 -22.77 66.43 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 122.405 0.282 . . . . 0.0 110.641 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.81 -28.6 44.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.54 -47.38 79.03 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -66.06 -31.0 71.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 119' ' ' LYS . . . -73.92 -35.0 55.0 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.285 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.82 -29.16 65.64 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.18 -56.17 9.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.06 -50.41 64.22 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 115' ' ' GLY . . . -53.56 -63.46 1.14 Allowed 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.484 0.314 . . . . 0.0 111.048 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.77 45.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.45 -51.55 66.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.56 -54.51 7.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.578 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 122.45 0.3 . . . . 0.0 111.496 -178.77 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.37 -37.33 44.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.388 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.79 -45.5 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.736 -179.316 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.45 -48.25 56.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.57 -48.18 57.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.66 0.6 . . . . 0.0 111.168 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.7 -33.12 71.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.23 -38.33 86.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.5 97.33 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.101 179.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.95 -27.24 66.63 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.04 -31.08 55.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.3 -39.28 71.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -61.66 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.41 -32.83 67.25 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.22 -77.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 108.489 -1.845 . . . . 0.0 108.489 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.9 -42.76 2.28 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.639 1.114 . . . . 0.0 115.228 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.76 -51.63 68.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.678 1.739 . . . . 0.0 108.287 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.32 -49.66 69.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.199 0.6 . . . . 0.0 112.196 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.89 -56.21 23.86 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -17.63 36.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.58 -47.03 14.76 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.535 -179.398 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.51 -30.16 62.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.323 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.43 -48.74 6.6 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 108.047 -2.021 . . . . 0.0 108.047 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -63.57 -34.13 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -62.06 -42.08 98.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.88 -68.66 0.52 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.03 67.62 10.27 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -47.92 138.53 8.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.693 0.62 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -150.74 -12.56 0.23 Allowed 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.734 0.646 . . . . 0.0 110.968 -179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 77.41 -46.0 0.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.968 0.507 . . . . 0.0 110.701 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -65.34 -47.95 74.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.471 0.177 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.06 79.21 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.58 -49.87 66.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.35 -45.98 62.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.235 0.334 . . . . 0.0 111.015 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.38 -28.54 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.12 -45.74 66.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.13 73.01 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.519 178.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.98 -51.46 69.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.18 -37.19 82.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.38 -66.69 0.34 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.982 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -45.05 -43.35 9.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.874 0.87 . . . . 0.0 113.067 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.14 -38.44 76.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -72.67 -41.32 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.151 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.37 -45.89 76.51 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.175 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 119.188 -0.434 . . . . 0.0 110.144 -178.666 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.08 -35.71 3.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.961 0.788 . . . . 0.0 111.591 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.64 -56.34 11.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.62 -47.23 73.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.92 -48.03 76.43 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.38 -39.61 65.85 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.58 -66.33 0.41 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 119.311 -0.376 . . . . 0.0 110.118 179.127 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.19 -35.75 3.43 Favored 'General case' 0 C--N 1.339 0.14 0 O-C-N 124.059 0.849 . . . . 0.0 110.74 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.06 -69.39 1.22 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 177.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.5 -45.78 37.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.106 0.533 . . . . 0.0 110.981 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -52.57 49.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.82 -38.61 70.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.12 -42.81 99.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.685 0.616 . . . . 0.0 110.21 177.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.36 -43.0 54.1 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.201 178.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.21 -36.39 63.96 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 114.35 -1.296 . . . . 0.0 109.675 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.11 -64.86 3.79 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 114.002 -1.453 . . . . 0.0 110.062 179.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.11 93.12 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.96 75.71 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.216 0.508 . . . . 0.0 109.987 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.49 -42.34 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.63 -48.47 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.42 80.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.432 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -60.39 -37.26 80.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.15 -50.1 65.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.782 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.14 162.44 1.39 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.62 58.28 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.916 -178.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -101.32 -100.19 2.43 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.704 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -154.14 127.78 8.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.59 -15.38 61.69 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -30.27 35.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 178.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.806 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -73.33 -34.41 65.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.443 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.432 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -80.26 -25.85 39.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.15 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.66 -47.1 8.14 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.43 64.51 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.806 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.65 -54.15 40.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.959 178.564 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.78 -26.48 68.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 122.7 0.4 . . . . 0.0 111.637 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.61 -32.29 60.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 178.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.89 -41.14 90.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.01 -28.43 62.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.745 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.46 -52.95 45.44 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -78.64 -19.92 72.45 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.77 -57.15 5.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.98 -48.54 78.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.45 -40.91 79.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -54.7 -47.17 74.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.39 -50.61 69.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.41 -35.65 78.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.806 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.78 -50.47 42.84 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.24 -34.52 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.73 -52.1 14.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.11 -42.42 63.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.468 0.48 . . . . 0.0 110.35 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.53 92.91 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.97 -27.53 66.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.72 -44.9 65.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.15 -24.07 57.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.97 -38.55 32.0 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.297 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.34 -23.92 62.9 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.6 -68.05 0.51 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.56 -31.36 66.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.61 64.94 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.53 -40.4 97.61 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -52.6 64.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.11 -50.59 36.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.242 0.617 . . . . 0.0 112.521 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.89 -62.49 1.47 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.466 0.306 . . . . 0.0 111.471 -177.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.45 -33.85 46.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 123.619 0.574 . . . . 0.0 109.72 -179.705 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.43 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -73.59 -42.37 61.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.792 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.99 -45.12 64.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.63 -50.98 7.53 Favored Glycine 0 C--N 1.335 0.485 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -177.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.83 -49.21 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.01 71.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -28.89 61.53 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.49 -116.41 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -85.94 -169.75 2.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.717 0.407 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -120.04 168.59 11.02 Favored 'General case' 0 C--N 1.339 0.145 0 O-C-N 124.595 1.184 . . . . 0.0 110.353 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 81.93 -65.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.04 0.837 . . . . 0.0 110.436 179.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -58.2 -42.04 85.28 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -56.63 18.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.084 -179.225 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.15 33.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.407 0.442 . . . . 0.0 110.464 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.61 -58.73 6.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.666 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -53.54 -44.66 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.59 -41.23 93.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -50.0 -48.81 52.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 123.293 0.371 . . . . 0.0 110.74 178.737 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.85 58.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -67.12 -54.35 22.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -52.18 -52.05 54.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.275 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -47.91 -42.84 28.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.47 -42.06 70.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.429 0.633 . . . . 0.0 109.422 178.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.69 -40.1 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.986 178.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.16 167.12 20.75 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 175.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 118.072 2.619 . . . . 0.0 118.072 -179.764 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.35 -33.45 5.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.234 0.959 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.16 -58.68 4.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -53.96 -48.07 70.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.49 -47.61 75.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.6 -37.09 74.07 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 178.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.11 -62.25 1.78 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -52.2 -39.27 59.92 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -63.31 4.21 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 107.068 -2.413 . . . . 0.0 107.068 178.191 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.68 -40.75 54.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.568 -0.816 . . . . 0.0 109.422 176.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.68 -52.99 58.24 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 123.292 0.37 . . . . 0.0 111.03 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.48 -40.63 71.91 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.191 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.77 -41.09 85.78 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.04 -38.66 52.86 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -72.99 -35.57 66.89 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.348 -1.297 . . . . 0.0 109.59 177.315 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.88 -69.32 1.24 Allowed Glycine 0 CA--C 1.527 0.791 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.234 179.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.74 -36.25 93.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.96 -50.42 64.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.108 0.454 . . . . 0.0 110.087 179.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.446 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -61.5 -38.2 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -53.9 -51.56 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 101' ' ' ALA . . . -56.34 -45.56 80.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.39 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.52 -42.12 67.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -52.93 -53.72 45.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.638 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.67 -45.27 30.36 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . -58.0 -42.31 84.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.715 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 72.03 -159.19 53.67 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 71.03 126.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.422 0.289 . . . . 0.0 110.767 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.37 -14.42 81.96 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -54.58 5.63 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.99 67.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.13 -67.81 0.41 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.87 -38.66 16.8 Favored Glycine 0 C--N 1.338 0.643 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.81 87.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.59 43.2 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.983 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.43 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -60.35 -21.45 62.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.091 0.556 . . . . 0.0 112.436 -178.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.1 -37.25 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -55.42 -42.43 74.14 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.19 -29.78 63.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 178.59 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.29 -46.65 62.91 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.96 -25.78 57.17 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.31 -54.57 44.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.39 -42.24 62.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.894 -179.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -62.64 -60.44 3.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.057 0.143 . . . . 0.0 110.885 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.82 73.96 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -52.52 -43.22 64.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.335 0.397 . . . . 0.0 110.435 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.72 -70.67 0.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.464 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.357 -179.634 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.51 -39.57 37.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.513 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.81 -43.89 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.435 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.75 -52.28 26.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.64 -47.27 50.0 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 123.724 0.64 . . . . 0.0 111.246 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.07 96.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.95 -30.51 67.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.81 -37.77 88.61 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.36 80.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.296 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.05 -29.37 67.25 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.12 -45.76 59.28 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -60.2 -34.09 73.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.07 -66.56 0.52 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.95 -24.7 76.86 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.35 -39.35 31.26 Favored Glycine 0 C--N 1.337 0.633 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.09 -51.17 71.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.157 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.55 -50.72 59.51 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.243 0.617 . . . . 0.0 112.445 179.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -61.56 -58.34 8.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.807 0.337 . . . . 0.0 110.598 -178.554 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -19.97 18.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.723 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.4 -48.04 13.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.996 -179.161 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.23 -31.92 69.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.461 -178.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -51.71 4.9 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.06 -31.25 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.723 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -69.44 -43.36 73.5 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.237 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.13 -26.25 39.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.252 0.221 . . . . 0.0 111.039 -178.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 -118.14 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . -155.27 -90.47 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.729 ' C ' ' H ' ' A' ' 34' ' ' GLU . . . 43.08 -55.77 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 178.145 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.832 ' N ' ' O ' ' A' ' 31' ' ' PHE . . . 64.99 -46.57 0.35 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 -177.467 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.729 ' H ' ' C ' ' A' ' 32' ' ' ASP . . . -66.93 -42.8 84.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 177.303 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' CB ' ' CB ' ' A' ' 32' ' ' ASP . . . -62.23 -43.98 97.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.2 -43.83 71.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.01 -40.06 72.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -64.03 -34.87 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.4 -42.92 92.09 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.5 -41.21 63.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 124.347 1.03 . . . . 0.0 108.311 177.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.9 -48.6 72.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.85 -38.58 86.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -52.25 -57.02 10.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.43 -42.92 7.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.311 1.007 . . . . 0.0 109.915 175.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -59.27 -48.2 82.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.12 -0.362 . . . . 0.0 110.654 178.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -58.41 -47.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.95 69.01 1.86 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 102.468 -3.16 . . . . 0.0 102.468 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.665 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 -175.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.313 0.101 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.21 -47.77 17.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.987 0.515 . . . . 0.0 112.092 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.39 -55.43 27.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -52.95 -31.62 41.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' C ' ' H ' ' A' ' 83' ' ' ALA . . . -59.23 -58.7 7.5 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.644 178.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.38 -6.84 4.84 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 81' ' ' PHE . . . -80.47 -74.1 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 178.26 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.74 -37.33 8.34 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 123.989 0.806 . . . . 0.0 110.409 178.396 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.32 -63.5 5.01 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.3 -48.2 18.24 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.597 0.822 . . . . 0.0 111.0 176.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.61 24.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.403 0.281 . . . . 0.0 111.513 -178.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.44 -44.8 72.81 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.11 -42.19 76.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.82 -44.53 59.2 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 123.862 0.726 . . . . 0.0 109.117 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -70.8 -36.65 73.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.461 178.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.57 -66.93 2.5 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.37 98.75 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.43 -38.8 66.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.257 0.528 . . . . 0.0 110.257 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.08 -41.82 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.07 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.55 -58.56 8.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.65 63.06 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.731 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.67 -52.45 65.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.14 -40.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 123.363 0.415 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.31 -103.7 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.23 36.36 0.02 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.42 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -102.94 90.37 3.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.808 0.843 . . . . 0.0 109.826 -179.325 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.65 -24.95 57.83 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.6 36.65 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -74.68 -32.62 62.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.12 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.06 -28.04 39.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.5 -45.63 10.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.05 72.97 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.33 -53.34 54.26 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.304 178.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.73 -30.45 67.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 122.499 0.32 . . . . 0.0 111.201 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.88 -32.14 63.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.53 -46.43 88.89 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -68.1 -26.58 65.89 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.507 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.86 15.04 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.43 -25.55 74.75 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.091 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.05 -63.05 1.26 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.55 -47.21 84.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -61.57 2.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.849 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.18 -41.82 28.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.626 0.579 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.58 -50.81 69.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.303 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -69.65 -58.49 3.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.893 -179.199 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 O-C-N 123.249 0.343 . . . . 0.0 110.41 -179.741 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.23 -60.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.84 -40.51 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.999 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.94 -50.61 32.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -52.27 -48.76 65.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 123.383 0.427 . . . . 0.0 110.991 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.19 91.26 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 178.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.71 -29.07 67.86 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.67 -39.94 88.36 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.23 89.09 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.937 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.06 -28.9 66.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.44 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.31 -32.52 64.65 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.19 -35.85 78.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -64.86 -65.05 0.72 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.76 -34.21 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.43 -71.26 0.77 Allowed Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 179.043 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.67 -42.87 2.14 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 124.367 0.984 . . . . 0.0 114.421 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.0 -53.65 55.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.041 1.421 . . . . 0.0 108.043 178.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -50.4 -51.55 45.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.479 0.712 . . . . 0.0 112.761 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.61 -56.75 13.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.865 0.466 . . . . 0.0 111.697 -178.135 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.71 42.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.434 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.08 -40.89 26.68 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -58.9 -62.1 2.13 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.85 -42.36 85.79 Favored Glycine 0 C--N 1.337 0.604 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.78 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . -56.21 -36.33 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 118.116 0.958 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.02 26.13 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.69 -52.89 9.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 117.777 0.262 . . . . 0.0 111.484 -177.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.29 -119.2 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.78 ' O ' ' O ' ' A' ' 27' ' ' VAL . . . -88.7 -164.07 1.07 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -150.19 74.98 1.22 Allowed 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.902 0.752 . . . . 0.0 109.921 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.58 -88.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.17 -52.04 67.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.405 0.282 . . . . 0.0 111.756 -179.002 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.93 -49.21 74.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 122.05 0.14 . . . . 0.0 110.768 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -52.44 39.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.353 0.408 . . . . 0.0 110.555 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.08 -49.56 60.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.357 0.411 . . . . 0.0 110.632 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.89 -34.51 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.608 0.242 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.98 -42.77 94.26 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.12 -45.66 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 123.937 0.773 . . . . 0.0 109.245 177.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.48 -54.53 39.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.046 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -32.94 72.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.45 -60.34 3.55 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 178.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.97 -44.82 2.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.727 1.267 . . . . 0.0 110.122 176.534 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -55.06 -46.34 75.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.23 -38.37 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.41 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 174.241 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -172.815 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.67 -39.84 5.42 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 123.776 0.672 . . . . 0.0 111.655 -179.606 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.67 -47.96 82.97 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -59.36 -45.36 91.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.469 179.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.35 -52.59 64.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.22 -38.07 32.31 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 178.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -54.08 -65.81 0.51 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.97 -35.47 0.37 Allowed 'General case' 0 C--N 1.343 0.302 0 O-C-N 124.696 1.248 . . . . 0.0 110.766 179.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.61 4.25 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 105.837 -2.905 . . . . 0.0 105.837 176.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -47.82 -51.9 20.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.407 -0.897 . . . . 0.0 111.111 177.423 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.96 19.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.24 -45.59 72.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.66 -44.13 90.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.36 0.412 . . . . 0.0 110.819 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -50.62 -48.07 58.09 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.285 0.564 . . . . 0.0 110.311 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -73.74 -34.18 64.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.048 178.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.6 -67.76 2.03 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.641 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.92 82.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -67.91 -34.74 77.19 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.507 0.653 . . . . 0.0 110.146 -179.449 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.711 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -68.15 -41.95 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.866 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -68.19 -38.19 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.33 -51.61 65.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.419 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -64.08 -30.57 71.63 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.219 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.63 76.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.6 1.63 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -179.001 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.79 32.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.43 -147.34 2.2 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.581 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.69 -179.68 5.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.838 0.855 . . . . 0.0 110.112 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.2 -17.79 61.93 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.214 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.95 -30.76 35.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.872 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -73.34 -38.95 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.319 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.553 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -78.9 -27.75 43.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.691 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.73 -50.4 6.52 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -38.02 62.75 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.872 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.47 -49.65 72.79 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.752 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -61.58 -29.42 70.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 122.469 0.308 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.14 -27.93 61.95 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.41 -44.94 93.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 178.082 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.93 -27.57 66.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.004 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.08 -50.97 54.84 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 108.59 -1.804 . . . . 0.0 108.59 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -55.53 -66.57 2.74 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -48.61 -27.92 3.13 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.003 0.401 . . . . 0.0 111.97 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -75.19 -74.39 0.21 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.445 0.164 . . . . 0.0 111.201 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -37.83 65.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.524 -179.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.0 70.33 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -59.04 -41.2 87.25 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.23 -65.28 0.7 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.549 179.89 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.92 -34.22 44.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.121 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.46 -47.92 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.584 -179.395 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.03 -51.4 32.49 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.17 -44.89 52.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 123.775 0.672 . . . . 0.0 110.89 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.325 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.18 -30.46 68.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.95 -38.0 89.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.65 75.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.309 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.06 -26.18 65.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.16 -40.36 45.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.16 -27.97 66.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.24 -67.32 0.46 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.29 -29.79 69.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.37 -25.92 73.19 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -39.89 32.75 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.83 -51.08 71.05 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.46 -46.05 76.85 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.446 0.698 . . . . 0.0 112.722 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.53 -59.86 4.35 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.939 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.12 -21.37 59.18 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.532 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 1.141 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.3 -42.62 22.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.468 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.42 -34.28 58.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.518 -178.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -53.84 3.97 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.419 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -66.44 -44.29 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.532 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 1.141 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -59.52 -39.9 85.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.216 179.459 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.14 -17.4 52.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.275 0.23 . . . . 0.0 110.433 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.45 -139.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 177.81 99.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -177.97 -90.23 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 165.52 -36.6 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.209 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.02 -48.09 81.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -178.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.64 56.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.772 -0.156 . . . . 0.0 110.944 -178.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.49 -51.97 24.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 123.497 0.498 . . . . 0.0 110.99 -179.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.63 -46.27 67.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.183 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -56.44 -38.58 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.5 -41.3 98.73 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.92 -46.44 64.63 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 123.933 0.771 . . . . 0.0 109.628 177.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.99 -52.06 64.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.77 -35.17 74.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.03 -59.12 5.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.57 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.89 -44.91 1.74 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 124.858 1.348 . . . . 0.0 110.069 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.71 -44.1 73.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -66.01 -44.52 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.17 66.06 2.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 175.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -172.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.26 -41.42 5.9 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 111.916 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.05 -62.4 1.39 Allowed 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -52.17 -46.33 65.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -178.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.82 -50.17 71.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.28 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.11 -38.98 57.08 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.97 -66.25 0.43 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.14 -35.64 3.28 Favored 'General case' 0 C--N 1.34 0.185 0 O-C-N 123.872 0.732 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.51 -74.64 0.29 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 107.771 -2.132 . . . . 0.0 107.771 177.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.38 -46.1 12.97 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.209 0.594 . . . . 0.0 111.204 178.107 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.84 -46.47 71.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.15 -47.13 72.28 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.54 -35.38 77.6 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.702 178.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.74 -49.16 66.0 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.04 -35.93 64.36 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.193 178.373 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.17 -64.66 3.98 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.454 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -36.06 79.15 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 123.266 0.46 . . . . 0.0 111.989 -178.376 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.32 71.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 117.515 0.657 . . . . 0.0 109.913 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.599 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -72.09 -46.21 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 122.429 0.292 . . . . 0.0 110.911 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -71.66 -36.01 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.55 -57.35 13.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.418 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -73.41 -36.75 66.03 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.035 -179.265 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 95' ' ' VAL . . . -62.47 -54.53 38.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -66.29 -50.47 63.56 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.06 -179.698 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 7.09 0.14 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.23 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.82 107.13 0.73 Allowed Glycine 0 C--N 1.338 0.666 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.427 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . 168.85 71.01 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.557 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.62 -26.17 59.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.9 35.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.427 ' CB ' ' CB ' ' A' ' 103' ' ' ASP . . . -71.19 -31.68 67.93 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.113 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.47 -66.57 0.53 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -53.62 -40.77 63.72 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.913 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -60.04 2.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.599 -0.354 . . . . 0.0 111.57 -177.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.8 67.26 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.897 0.38 . . . . 0.0 110.38 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.38 -21.99 66.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.794 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -75.48 -33.83 60.85 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 178.393 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.33 -42.91 96.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 177.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.444 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.49 -30.15 69.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.678 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.88 -54.54 27.52 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.188 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.04 -20.0 78.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.18 -62.21 1.68 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.12 -44.97 94.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.51 -59.59 4.48 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.85 -46.01 30.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 123.617 0.573 . . . . 0.0 111.178 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.27 -52.93 63.36 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.19 -69.12 0.25 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.414 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 O-C-N 123.466 0.479 . . . . 0.0 111.03 -179.72 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 C--O 1.218 -0.586 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.75 -42.84 57.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.79 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.525 -179.611 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.65 -49.03 51.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.36 -49.57 61.22 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.606 0.567 . . . . 0.0 111.141 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.38 85.14 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.57 -33.2 72.35 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.028 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.53 -39.29 93.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.14 99.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.914 179.431 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.48 -27.56 69.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.19 -37.41 66.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.49 -38.82 88.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.64 -64.39 0.96 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.49 -31.75 64.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.64 -75.57 0.27 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.49 -42.14 1.82 Allowed Glycine 0 C--N 1.339 0.727 0 C-N-CA 124.299 0.952 . . . . 0.0 114.663 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -62.22 -54.0 47.17 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.613 1.707 . . . . 0.0 108.935 179.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.14 -52.31 27.01 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.508 0.723 . . . . 0.0 112.783 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.27 -52.5 61.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.33 66.07 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.112 0.482 . . . . 0.0 110.338 -178.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.17 -35.61 36.21 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.87 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.6 -59.08 3.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.2 -39.96 97.57 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.247 -178.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -65.75 -33.98 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 118.206 1.003 . . . . 0.0 109.097 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.97 63.64 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.664 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.6 -17.19 52.11 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.568 0.347 . . . . 0.0 110.48 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.77 -141.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.51 0.324 . . . . 0.0 111.084 -178.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.1 85.01 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -170.43 -99.69 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 168.11 -35.68 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -54.95 -54.61 40.54 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -53.77 -49.41 68.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.298 0.239 . . . . 0.0 111.127 -178.66 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -54.31 21.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.421 0.45 . . . . 0.0 110.776 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.25 -52.23 46.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 123.28 0.362 . . . . 0.0 111.332 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -61.25 -37.22 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.691 0.282 . . . . 0.0 110.853 -179.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.85 -44.52 92.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -50.12 -47.68 53.88 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 123.966 0.791 . . . . 0.0 109.623 177.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.8 63.17 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.692 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.91 -35.95 81.75 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.82 -60.5 3.28 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.99 -43.86 1.62 Allowed 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.405 1.066 . . . . 0.0 109.444 175.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.66 -44.22 73.08 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -55.05 -36.58 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.506 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.64 81.61 4.08 Favored 'General case' 0 CA--C 1.519 -0.238 1 N-CA-C 98.346 -4.687 . . . . 0.0 98.346 172.175 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.975 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -166.192 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.517 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -39.83 -50.71 2.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -176.445 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -80.05 -44.06 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.96 1.254 . . . . 0.0 112.448 -176.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -64.73 -64.97 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.092 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.71 -46.34 87.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 78' ' ' MET . . . -50.44 -42.15 42.31 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 177.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.84 -64.46 0.82 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.347 178.049 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.58 -36.3 0.38 Allowed 'General case' 0 C--N 1.342 0.273 0 O-C-N 124.858 1.348 . . . . 0.0 110.691 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.69 -73.07 0.51 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 106.561 -2.615 . . . . 0.0 106.561 177.645 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.64 -54.24 4.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.578 0.81 . . . . 0.0 112.272 177.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -54.27 31.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.714 0.405 . . . . 0.0 112.032 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -39.4 75.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.4 -41.93 86.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.856 178.073 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.43 -57.3 12.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.32 0.248 . . . . 0.0 111.382 -179.08 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -65.88 -30.84 71.51 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.127 0.489 . . . . 0.0 109.695 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.06 -63.67 4.98 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.82 -40.82 97.61 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.77 65.18 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.689 0.744 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -71.58 -42.15 71.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.445 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -64.12 -36.61 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.5 45.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.438 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -74.79 -31.95 61.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.808 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.432 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -65.47 -50.18 66.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.568 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.21 -61.25 1.92 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.094 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 157.35 35.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.413 0.149 . . . . 0.0 110.678 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -50.61 90.22 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 176.12 35.01 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.95 -22.71 55.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -68.46 0.37 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -178.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.36 -12.7 32.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -75.61 -35.65 60.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.053 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.12 -43.07 41.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.42 -26.42 63.67 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.22 -51.11 49.13 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.841 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -68.92 -24.17 64.26 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -67.43 -45.42 76.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.68 -39.08 92.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.047 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.19 32.47 Favored Glycine 0 C--N 1.336 0.541 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.795 -178.318 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.85 -13.01 75.28 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -74.09 -62.32 1.55 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.2 -47.7 81.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.641 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -52.91 -51.73 60.24 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.175 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.15 -67.67 0.23 Allowed 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.599 0.562 . . . . 0.0 110.111 179.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -41.54 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.889 0.743 . . . . 0.0 112.89 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -51.63 -44.0 62.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.021 0.201 . . . . 0.0 111.267 -179.368 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 119' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.368 0 C-N-CA 123.188 0.595 . . . . 0.0 112.522 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.87 -45.69 60.46 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.65 -40.64 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.72 -48.58 59.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.677 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.64 -45.01 70.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 123.397 0.436 . . . . 0.0 110.116 179.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.16 99.36 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.92 -29.35 68.32 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.74 -38.69 91.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.62 -46.44 72.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.224 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.09 -27.95 64.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.909 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.91 -41.02 60.5 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.48 -28.53 69.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.49 -67.7 0.43 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.4 -31.05 67.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -25.44 75.07 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.54 -40.26 39.42 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 1.026 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.24 -48.55 78.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.616 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -61.31 -39.44 90.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.003 0.521 . . . . 0.0 111.475 178.123 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -68.54 -70.25 0.28 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -22.32 48.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 1.026 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -78.09 -46.3 21.13 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.73 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.77 -24.95 58.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.334 0.254 . . . . 0.0 111.45 -178.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -49.47 5.83 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.356 -2.298 . . . . 0.0 107.356 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.64 -31.16 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.86 -41.51 74.76 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.523 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.01 -29.0 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.12 -136.04 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.61 79.54 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.2 -159.16 0.86 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -141.42 -27.4 0.68 Allowed 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 123.912 0.758 . . . . 0.0 110.029 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.69 -46.71 89.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.86 79.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.89 57.92 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.283 0.365 . . . . 0.0 110.98 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -55.33 -47.84 75.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.92 -43.18 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.54 -42.15 98.41 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' CB ' ' CB ' ' A' ' 96' ' ' ILE . . . -51.47 -53.04 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 123.763 0.664 . . . . 0.0 110.468 178.808 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.98 -44.1 63.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.53 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.76 -46.53 90.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.82 -63.89 1.0 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.95 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -49.59 -48.47 48.81 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.37 -52.49 39.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.48 -68.51 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -176.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -64.1 -41.3 97.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.07 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.774 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.43 -26.9 0.94 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.902 0.751 . . . . 0.0 110.542 178.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.31 -52.33 28.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -56.92 -45.72 82.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.81 -50.24 72.95 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.851 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.53 -39.77 38.11 Favored Glycine 0 C--N 1.338 0.68 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.42 -66.4 0.41 Allowed 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.73 -35.51 0.33 Allowed 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.566 1.166 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.19 -70.4 0.99 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 106.371 -2.691 . . . . 0.0 106.371 176.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.5 -52.89 7.53 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 124.381 0.695 . . . . 0.0 111.82 177.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.64 67.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.401 0.28 . . . . 0.0 110.947 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.36 -49.61 64.0 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.3 -34.09 73.29 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 122.37 0.268 . . . . 0.0 111.306 178.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.02 -53.38 58.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 118.731 0.696 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.548 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -73.65 -34.42 64.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.801 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.25 -62.79 5.79 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.054 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.22 -39.13 88.29 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -178.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.16 67.77 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.548 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -65.36 -43.87 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.219 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.431 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -63.03 -32.8 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.27 -45.24 91.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.321 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.431 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -64.7 -35.62 81.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.49 57.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.32 -50.35 71.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.54 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.39 21.03 73.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -87.69 89.46 8.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.89 -30.14 65.91 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -29.32 36.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.437 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.431 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -76.69 -33.57 58.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.81 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -66.16 -63.44 1.08 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.2 -31.94 66.63 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.434 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.42 -55.25 5.88 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.547 0.674 . . . . 0.0 110.869 -177.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.41 96.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.63 -26.15 66.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.585 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -71.43 -34.75 70.56 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.34 -44.1 95.84 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -62.38 -35.16 78.3 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.478 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.42 71.21 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.34 -64.37 4.36 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.482 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -48.67 -53.39 18.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.954 0.377 . . . . 0.0 111.927 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.76 -65.93 0.61 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.908 -0.133 . . . . 0.0 111.12 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.32 -63.97 0.97 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.54 -54.42 7.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -50.62 -59.38 4.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.399 0.28 . . . . 0.0 111.498 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -57.16 -48.54 78.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.65 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.603 -179.489 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.54 -51.76 32.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.09 -39.4 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.353 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.15 -51.31 32.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.48 -46.97 63.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.637 0.586 . . . . 0.0 110.804 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.77 97.8 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.16 -29.79 67.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.81 -38.68 89.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.24 75.99 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.149 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.55 -28.32 65.38 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.63 -40.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -62.9 -35.66 80.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -62.8 -65.08 0.74 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.62 -39.4 70.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.76 73.63 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.79 23.27 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.56 -49.11 78.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.198 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.1 -51.45 57.7 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.352 0.661 . . . . 0.0 112.388 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.57 -60.92 2.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.283 0.233 . . . . 0.0 111.263 -178.441 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.53 -20.13 18.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.34 -45.92 16.97 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.022 -179.609 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.0 -34.45 71.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.328 -178.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.68 -49.02 8.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -179.523 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.9 -35.33 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.1 97.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.36 -30.84 71.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.63 -143.2 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.05 -64.44 0.12 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.992 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -27.0 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 172.88 -22.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.904 0.127 . . . . 0.0 110.929 -179.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.83 -52.14 61.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.194 0.198 . . . . 0.0 111.003 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.67 72.66 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.2 -51.54 43.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.32 0.388 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.19 -45.1 68.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.203 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.3 -35.65 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.163 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.51 -44.69 81.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.83 -46.7 64.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.959 0.787 . . . . 0.0 109.555 178.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.99 65.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.99 -35.72 81.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.98 -62.47 1.63 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.773 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -44.89 -44.02 9.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.063 0.852 . . . . 0.0 111.238 177.76 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.73 -46.36 74.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.53 -41.97 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -71.87 -28.94 63.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.115 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.448 -0.552 0 O-C-N 124.137 0.898 . . . . 0.0 108.61 178.266 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.04 -30.17 1.75 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.222 0.951 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.35 -56.95 7.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -56.35 -49.58 73.97 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.4 -54.66 37.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.65 -37.77 42.75 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 178.654 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.85 -66.05 0.46 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.32 -36.33 2.74 Favored 'General case' 0 C--N 1.341 0.223 0 O-C-N 123.878 0.736 . . . . 0.0 111.112 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.16 -72.52 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 107.714 -2.154 . . . . 0.0 107.714 177.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.06 -46.66 8.62 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.595 0.82 . . . . 0.0 111.064 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.86 -50.55 66.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 110.238 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.49 -52.0 42.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.727 179.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.36 -37.05 79.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.259 0.224 . . . . 0.0 110.845 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.04 -52.62 41.39 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.007 0.432 . . . . 0.0 110.015 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.43 -34.78 63.31 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.372 179.022 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.43 -67.19 2.31 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.208 179.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.69 -36.97 93.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.91 76.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.49 -45.01 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 122.738 0.415 . . . . 0.0 110.184 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.57 -36.3 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -51.75 65.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -72.96 -58.0 3.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.418 -178.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.04 -54.36 13.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.081 0.552 . . . . 0.0 111.645 -179.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.79 -44.88 78.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.07 -11.06 59.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 119.104 -0.474 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -124.34 -110.74 1.89 Allowed Glycine 0 C--N 1.342 0.866 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 178.64 -159.91 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.204 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.15 -28.91 14.25 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -74.74 0.1 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.23 74.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -62.6 -51.05 68.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.3 -38.13 67.46 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.3 -63.24 1.1 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.467 -178.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.28 -46.59 88.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.756 -178.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.15 -26.79 67.59 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.06 -31.34 62.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.61 -46.19 83.69 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.013 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.412 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -60.85 -32.4 71.81 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.026 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.31 -89.51 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 178.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -39.6 -30.07 0.18 Allowed Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.599 0.618 . . . . 0.0 114.179 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -59.05 4.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.016 0.908 . . . . 0.0 109.236 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.33 -47.3 77.0 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.49 -45.3 81.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -54.95 -43.6 73.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.582 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.73 -43.78 76.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.77 -37.79 79.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.758 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.31 -34.98 48.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.223 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -63.97 -43.67 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.661 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.8 -50.21 21.63 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.36 -44.97 65.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.418 0.449 . . . . 0.0 110.495 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.46 98.87 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.32 -28.5 68.19 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -38.29 89.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.83 97.15 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 178.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -64.73 -22.88 67.08 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.2 -43.58 23.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.96 -26.02 64.84 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.581 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.93 -67.72 0.42 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.66 -28.84 64.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.54 67.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.744 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.85 -40.27 15.01 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -177.67 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.05 -51.61 68.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.815 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.42 -46.88 83.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.08 -60.62 3.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.036 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.21 -20.27 10.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.052 178.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -79.98 -45.72 17.95 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.846 -179.139 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -72.11 -33.59 67.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.284 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.29 -53.21 4.22 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.94 -47.38 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.29 77.03 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.652 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -77.8 -21.13 52.07 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 117.59 0.177 . . . . 0.0 110.593 -178.871 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.31 -141.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.35 0.26 . . . . 0.0 110.787 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.83 68.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -160.88 -155.55 0.42 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -143.56 -31.07 0.48 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.846 0.716 . . . . 0.0 109.304 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.21 -45.66 90.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.73 81.65 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.79 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.47 67.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.324 0.39 . . . . 0.0 109.974 179.626 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.24 -47.58 65.66 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 123.332 0.395 . . . . 0.0 110.338 179.47 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.93 -35.6 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.08 -42.67 93.89 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 179.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.31 62.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.054 0.846 . . . . 0.0 108.928 177.591 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.27 69.37 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.85 -34.34 72.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.137 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -56.66 -63.53 1.17 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.83 -40.78 1.03 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.157 0.91 . . . . 0.0 111.203 177.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -69.8 -49.55 51.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 178.773 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.68 -55.2 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 C-N-CA 123.369 0.667 . . . . 0.0 109.694 -178.648 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.18 81.18 1.79 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 173.791 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.841 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 -175.71 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 119.708 -0.187 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.88 -40.23 13.62 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 123.59 0.556 . . . . 0.0 111.786 179.255 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.02 -55.56 27.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.06 -41.61 68.35 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.312 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.75 -50.95 70.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.262 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.49 50.84 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.82 -64.48 0.81 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.71 -35.96 2.92 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 124.072 0.857 . . . . 0.0 111.156 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.01 -70.44 0.94 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.381 -2.288 . . . . 0.0 107.381 177.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.09 -45.58 16.4 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 124.706 0.886 . . . . 0.0 110.495 177.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -52.81 57.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.121 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.68 -46.22 74.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.17 -43.21 92.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.213 0.321 . . . . 0.0 110.615 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.81 -47.09 51.57 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.667 0.604 . . . . 0.0 109.926 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.87 -31.41 61.6 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.213 178.136 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.98 -65.01 3.89 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.9 179.021 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.12 92.09 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -178.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.88 82.0 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.564 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.51 -47.02 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.53 -33.58 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.08 -49.08 71.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.452 179.565 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.54 90.48 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.725 -179.34 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.57 70.17 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.95 -26.64 48.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.183 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.42 -113.58 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -78.77 -61.54 2.4 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.746 -0.475 . . . . 0.0 112.551 -178.488 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.85 -151.76 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 117.338 0.569 . . . . 0.0 111.356 -178.4 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.83 -18.08 2.56 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.628 -179.533 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.93 -75.42 0.08 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.01 0.405 . . . . 0.0 110.401 179.644 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.88 87.6 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.493 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.97 -47.48 85.64 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.331 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.26 -35.69 91.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 -178.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.07 -61.2 2.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.37 0.605 . . . . 0.0 109.629 -179.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.97 -41.15 82.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.647 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.75 -17.39 64.53 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.137 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.13 -32.02 39.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.75 -43.65 98.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 176.149 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.45 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -69.58 -29.27 66.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 177.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.57 -46.5 93.62 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.3 -66.51 2.79 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 107.968 -2.053 . . . . 0.0 107.968 178.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.834 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.85 -65.53 0.49 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 179.541 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.77 -72.28 0.13 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -66.2 0.43 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.04 -35.13 61.64 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.865 -0.112 . . . . 0.0 111.019 -178.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.834 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -56.24 -45.04 80.14 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.012 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -75.9 -55.18 5.86 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 122.4 0.28 . . . . 0.0 110.672 -179.505 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.16 -45.91 53.88 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.8 -38.19 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.31 -179.807 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.38 -53.18 14.99 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.8 -43.26 48.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.634 0.584 . . . . 0.0 110.82 179.613 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.46 89.55 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.181 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.54 -30.1 68.37 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.121 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.05 -37.16 86.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.27 77.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.585 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.87 -25.22 67.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.441 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.77 -46.66 21.01 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.763 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.67 -27.08 68.1 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.78 -66.77 0.51 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.327 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.1 -26.9 67.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.44 -37.23 62.63 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.643 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.84 -39.02 85.88 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.614 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.58 -50.92 72.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.352 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.9 -44.58 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.742 0.417 . . . . 0.0 111.08 178.534 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.34 -62.1 1.82 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.527 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -22.42 11.41 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.413 179.084 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.85 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.17 -44.0 20.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.769 -179.75 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.0 -37.02 75.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.386 -178.769 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.2 -53.0 4.61 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.85 -48.36 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.85 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -55.84 -39.51 71.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.631 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.93 -19.2 61.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.871 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.51 -146.86 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.349 0.26 . . . . 0.0 110.745 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 169.03 79.22 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.349 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -179.55 -33.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 170.11 -24.42 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -46.67 -50.94 16.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.703 0.627 . . . . 0.0 112.279 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -68.76 0.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.445 0.298 . . . . 0.0 111.785 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -65.79 0.5 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.178 0.299 . . . . 0.0 111.459 -178.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.91 -70.95 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.374 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.49 -49.95 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -60.09 -46.79 88.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 121.89 -0.506 . . . . 0.0 109.657 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.41 -52.79 12.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.766 0.666 . . . . 0.0 110.978 179.661 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.95 71.19 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -50.8 -56.72 10.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.329 178.455 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -43.83 -57.4 3.28 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.638 1.211 . . . . 0.0 108.68 178.35 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.69 -57.12 1.58 Allowed 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.581 1.176 . . . . 0.0 111.47 176.72 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.15 -47.28 72.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.359 0.527 . . . . 0.0 111.171 178.436 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.45 -34.6 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.252 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.55 60.56 3.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 103.473 -2.788 . . . . 0.0 103.473 173.207 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -176.514 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.452 0.167 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.29 -43.01 7.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.04 0.837 . . . . 0.0 113.093 -178.505 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.11 -61.77 1.95 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.577 0.171 . . . . 0.0 111.235 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -52.53 -46.44 66.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.421 0.451 . . . . 0.0 109.893 -179.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.04 -46.49 75.31 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.64 -38.77 83.64 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 178.285 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -65.61 0.53 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.79 0.295 . . . . 0.0 110.611 179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -50.18 -38.34 39.26 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 123.609 0.568 . . . . 0.0 109.57 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.25 -62.6 4.94 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 106.507 -2.637 . . . . 0.0 106.507 177.384 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.48 -41.52 53.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.705 -0.747 . . . . 0.0 109.812 176.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.48 -53.74 50.21 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.046 0.451 . . . . 0.0 111.311 -179.203 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.5 -38.91 72.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.305 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.73 -41.67 86.98 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.51 -37.32 48.66 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.233 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.92 -35.75 62.19 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.975 177.26 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.15 -67.86 1.84 Allowed Glycine 0 CA--C 1.523 0.589 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.775 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.76 90.94 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.93 -47.06 71.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 117.451 0.626 . . . . 0.0 110.278 179.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.429 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -66.73 -38.92 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.41 -51.75 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.6 -62.32 1.97 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.516 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.71 -54.01 39.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 122.342 0.257 . . . . 0.0 110.975 -178.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.91 -51.7 28.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.834 0.709 . . . . 0.0 110.078 179.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.79 -44.07 69.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.361 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.15 -101.29 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.339 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.71 -160.95 33.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.337 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 74.1 130.79 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.206 0.526 . . . . 0.0 112.003 178.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.39 -4.66 80.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.67 -49.49 13.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.94 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -67.85 -39.77 83.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.631 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.727 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -75.58 -23.84 56.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.78 -57.79 2.8 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.6 -43.79 79.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -179.272 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.94 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -61.93 -52.13 65.32 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.634 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -62.9 -24.34 67.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.776 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.49 -35.56 40.01 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.41 -45.43 88.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.65 -30.67 70.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.54 -38.64 61.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.82 61.62 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.18 -53.48 19.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.01 -49.38 65.49 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -58.76 6.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.06 56.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 123.282 0.364 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.64 -51.63 66.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -71.31 -51.32 25.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.662 -179.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.418 0 O-C-N 123.188 0.305 . . . . 0.0 110.394 -179.633 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -55.95 -56.34 21.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 55.61 52.48 10.99 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -63.69 100.33 0.28 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.21 -54.13 12.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.42 -39.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.97 -47.68 57.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.63 -46.21 63.55 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.649 0.593 . . . . 0.0 110.675 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.45 97.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.33 -32.48 70.12 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.36 -38.56 87.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.06 81.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.049 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.34 -25.8 64.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.45 -37.02 44.59 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.59 -30.77 68.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.66 -67.39 0.45 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.84 -33.57 70.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.33 -22.08 78.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 -41.12 20.73 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 108.659 -1.776 . . . . 0.0 108.659 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.02 -46.63 84.97 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.88 -45.99 90.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.494 0.718 . . . . 0.0 112.754 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.43 -60.68 3.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.989 0.423 . . . . 0.0 109.865 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -20.13 54.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.605 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.45 -42.18 23.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.748 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.92 -31.42 61.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.318 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.88 -46.42 9.52 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.02 -2.432 . . . . 0.0 107.02 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.88 -35.53 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.11 96.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.54 -74.91 0.19 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.5 61.59 4.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.113 0.565 . . . . 0.0 110.42 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.07 -175.25 0.72 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.802 0.334 . . . . 0.0 110.701 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 174.64 -64.35 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 168.96 -49.83 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.06 -48.05 80.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.402 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.1 50.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.086 0.155 . . . . 0.0 110.975 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.75 24.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.399 0.437 . . . . 0.0 111.212 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.36 -47.18 69.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.002 0.188 . . . . 0.0 110.527 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 120.652 0.263 . . . . 0.0 111.082 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.2 -43.9 85.47 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -52.8 -46.47 67.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 123.871 0.732 . . . . 0.0 109.935 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.55 -49.83 69.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.84 -39.22 88.25 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.15 -67.99 0.21 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.124 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.48 -42.08 3.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 124.357 1.036 . . . . 0.0 111.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.14 -40.96 78.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -74.18 -46.93 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.78 -60.96 2.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.11 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.55 5.86 16.68 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.934 0.493 . . . . 0.0 111.191 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -50.87 -71.38 0.06 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -176.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 125.08 75.61 0.0 OUTLIER 'General case' 0 C--N 1.343 0.289 0 C-N-CA 126.236 1.814 . . . . 0.0 107.278 -177.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -54.66 -53.1 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.12 77.5 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.554 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.51 . . -174.48 7.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.822 1.681 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -147.9 -2.18 0.56 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.958 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -112.23 92.27 18.37 Favored Pre-proline 0 C--N 1.343 0.286 0 C-N-CA 123.759 0.824 . . . . 0.0 108.841 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.61 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -159.26 -145.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.116 1.877 . . . . 0.0 110.06 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.69 77.79 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.679 0.612 . . . . 0.0 110.442 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -100.55 -131.07 7.25 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -85.9 -48.45 8.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 69.06 79.92 0.2 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' H ' ' CB ' ' A' ' 71' ' ' LYS . . . -63.62 -55.89 20.12 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -53.36 -31.86 46.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.47 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -54.75 -72.42 0.06 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -138.89 171.24 8.47 Favored Pre-proline 0 N--CA 1.454 -0.267 0 O-C-N 123.994 0.809 . . . . 0.0 109.15 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.51 . . -68.4 150.39 75.79 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 121.9 1.734 . . . . 0.0 110.371 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.29 177.01 45.85 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -65.35 -98.53 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 42.28 -152.81 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.952 0.782 . . . . 0.0 112.51 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 127' ' ' GLU . . . -153.74 -40.92 0.09 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.36 136.83 8.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' CB ' ' H ' ' A' ' 61' ' ' SER . . . -157.09 -61.53 0.09 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.15 -17.7 23.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.795 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -56.43 -83.18 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 118.551 0.614 . . . . 0.0 111.011 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 44.38 -48.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.795 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 61.71 92.76 0.05 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -177.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 75' ' ' TRP . . . 140.2 109.89 0.0 OUTLIER 'General case' 0 C--N 1.34 0.194 0 O-C-N 125.203 1.564 . . . . 0.0 107.205 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -54.84 172.75 0.1 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 122.082 0.153 . . . . 0.0 110.764 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -43.57 -32.32 0.91 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 123.744 0.652 . . . . 0.0 111.356 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -72.46 -58.88 3.03 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.981 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.428 ' CB ' ' CB ' ' A' ' 76' ' ' ALA . . . -55.97 -48.42 75.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.38 -47.77 75.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.86 -39.19 61.56 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.39 -67.42 0.27 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.189 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.5 -34.85 1.46 Allowed 'General case' 0 C--N 1.341 0.235 0 O-C-N 123.94 0.775 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.44 -73.2 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 106.958 -2.457 . . . . 0.0 106.958 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.24 -46.83 12.69 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.321 0.659 . . . . 0.0 111.279 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.31 -49.13 64.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.36 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.28 -42.71 77.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.12 -40.29 89.2 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.062 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.94 -47.02 61.12 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.51 70.51 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.609 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.84 -67.31 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.666 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.09 -37.68 91.85 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.19 78.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.629 0.714 . . . . 0.0 110.393 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.73 -44.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -61.91 -36.63 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.91 78.3 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.2 75.24 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -58.4 -52.19 66.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -67.03 -52.76 38.38 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -22.33 13.87 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 78.08 16.76 79.34 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.422 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -83.29 86.79 6.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -29.62 57.83 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.61 -29.32 36.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.422 ' CB ' ' CB ' ' A' ' 103' ' ' ASP . . . -75.63 -36.09 60.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.263 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.03 -26.58 39.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 122.52 0.328 . . . . 0.0 110.562 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.26 -45.17 10.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.55 -39.03 65.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.39 69.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.67 -27.64 69.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 122.487 0.315 . . . . 0.0 111.387 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.36 -32.83 64.74 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.18 -41.1 98.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -69.36 -30.55 68.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.74 -52.36 51.22 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -73.91 -18.93 79.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.61 -61.0 1.94 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.05 -47.83 84.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.5 -46.69 76.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -52.73 -41.26 63.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.413 0.446 . . . . 0.0 110.126 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -58.55 -53.95 52.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.31 -39.78 80.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -63.73 -23.44 67.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -76.33 -54.28 6.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.765 ' O ' ' N ' ' A' ' 127' ' ' GLU . . . -77.47 47.67 0.6 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -56.05 59.54 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.765 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -60.17 173.84 0.6 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -75.79 -60.56 2.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 116.975 -1.488 . . . . 0.0 109.756 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -75.49 179.6 5.17 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 175.92 -68.92 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -160.71 60.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.18 -41.56 57.73 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.23 -42.19 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.452 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.86 -52.33 25.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -48.78 -46.37 41.38 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.813 0.696 . . . . 0.0 111.175 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.33 94.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.98 -29.9 67.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.01 -38.66 92.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.67 -41.8 78.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.199 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.73 -26.16 66.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.12 -40.32 46.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.07 -29.4 68.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.91 -67.38 0.46 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.28 -31.24 68.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.3 78.72 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.24 -40.57 19.62 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.51 -46.98 85.62 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.67 -47.47 82.22 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.529 0.731 . . . . 0.0 112.815 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.43 -61.91 1.93 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 110.71 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -22.06 56.18 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.392 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.674 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.3 -43.06 21.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.772 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.14 -34.22 65.97 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 122.618 0.367 . . . . 0.0 111.185 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.87 -46.84 12.82 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.72 -2.152 . . . . 0.0 107.72 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.23 -33.51 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.48 98.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.373 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.27 -76.33 0.16 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 119.851 -0.118 . . . . 0.0 110.811 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.48 62.77 6.09 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.959 0.504 . . . . 0.0 109.884 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.78 -176.24 1.03 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 110.754 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 174.43 -64.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 169.61 -49.98 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.86 -49.51 72.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -54.99 39.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.061 0.144 . . . . 0.0 111.273 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.93 39.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.299 0.374 . . . . 0.0 111.063 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.42 -46.16 66.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.141 0.276 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -65.63 -36.3 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 111.134 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.97 -45.11 78.7 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.65 67.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.74 0.65 . . . . 0.0 109.61 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.31 -50.55 71.13 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.94 -37.14 81.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.58 -70.25 0.11 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.744 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.01 -41.08 1.58 Allowed 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.186 0.928 . . . . 0.0 112.484 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -60.77 -40.14 91.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.42 -48.62 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.21 -54.04 18.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.643 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.12 9.09 7.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.763 0.425 . . . . 0.0 111.966 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -47.6 -67.88 0.24 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -177.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 98.78 58.7 0.0 OUTLIER 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.189 1.396 . . . . 0.0 107.469 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.725 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -45.68 -32.14 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.08 64.76 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.546 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.725 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.508 . . -174.85 -13.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 121.701 1.601 . . . . 0.0 111.145 -179.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -98.63 -66.32 0.91 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.436 0.694 . . . . 0.0 109.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -70.07 16.36 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.548 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -73.11 -151.44 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 121.545 1.496 . . . . 0.0 108.512 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.62 90.61 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -143.83 -33.92 0.09 OUTLIER Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.166 -1.573 . . . . 0.0 109.166 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -158.71 -70.4 0.09 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 58.59 91.85 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.329 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 55.77 53.43 9.44 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.47 159.21 0.23 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 171.28 -76.5 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -172.16 -55.27 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.513 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' CB ' ' CB ' ' A' ' 70' ' ' ALA 2.509 . . 63.11 26.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.349 2.033 . . . . 0.0 110.699 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -142.52 -45.14 0.05 OUTLIER Glycine 0 C--N 1.338 0.678 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -71.25 -150.2 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -77.5 155.02 31.94 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 67.96 152.6 0.09 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.589 ' C ' ' H ' ' A' ' 72' ' ' ALA . . . 173.81 54.5 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.79 ' O ' ' O ' ' A' ' 125' ' ' TYR . . . -67.52 42.33 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.589 ' H ' ' C ' ' A' ' 70' ' ' ALA . . . 64.91 17.92 11.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 177.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 43.73 13.48 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . 68.59 -147.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -146.88 34.24 0.92 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 49.38 20.7 0.48 Allowed 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 124.468 1.105 . . . . 0.0 109.177 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -87.53 67.09 9.26 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.156 0.582 . . . . 0.0 110.291 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -37.25 4.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 124.106 0.879 . . . . 0.0 111.691 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.28 -62.21 1.48 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -52.68 -49.21 65.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.36 -45.77 76.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.0 -39.34 78.99 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.75 -66.58 0.37 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.467 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.01 -36.04 12.06 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 123.701 0.625 . . . . 0.0 109.979 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.61 -66.66 2.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 106.852 -2.499 . . . . 0.0 106.852 177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.52 -43.21 35.02 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.326 0.662 . . . . 0.0 110.325 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.7 -52.39 56.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.013 0.435 . . . . 0.0 110.745 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.34 -40.32 74.28 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.03 -41.56 83.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.42 -38.52 53.99 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.05 -37.51 64.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.968 177.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.47 -64.72 3.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.424 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.59 -39.17 96.56 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.44 -44.4 72.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 117.181 0.49 . . . . 0.0 110.292 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.0 -40.95 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -55.38 -50.4 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.4 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.166 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.91 68.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.75 -49.03 74.21 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.45 -38.16 58.61 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.349 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -104.25 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.22 -55.19 0.19 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.09 126.81 2.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.34 -4.59 89.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.23 -44.35 17.9 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.63 63.09 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.486 -1.233 . . . . 0.0 108.115 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.73 -62.52 1.82 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.67 92.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.13 -58.68 5.4 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.9 -39.29 74.14 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.68 -22.01 66.09 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.495 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.69 -33.93 40.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.21 -42.23 94.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -68.55 -29.12 67.61 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.61 -40.73 94.17 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.07 -23.34 61.6 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.75 -57.85 5.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.94 -46.99 86.88 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.69 -45.58 81.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.53 75.68 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.59 -48.8 68.9 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -66.55 -36.48 82.78 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.94 -31.0 62.54 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.12 -59.52 2.75 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.79 ' O ' ' O ' ' A' ' 71' ' ' LYS . . . -77.86 51.47 0.95 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -161.59 66.15 0.27 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 129' ' ' ASP . . . 69.96 178.86 0.25 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 68.51 -59.67 0.45 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.809 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -56.13 -70.17 0.12 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 67.13 -160.1 0.23 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -156.66 48.58 0.46 Allowed 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -80.09 -30.81 39.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -64.64 -48.06 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.95 -50.39 35.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.35 -45.18 54.9 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.744 0.652 . . . . 0.0 111.004 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.63 98.44 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.44 -30.34 68.42 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.96 -38.09 89.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.28 79.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.202 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.68 -26.06 65.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.3 -35.97 47.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.78 -26.37 62.4 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -69.08 -68.08 0.43 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.3 -29.65 70.0 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.48 -23.13 76.23 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.57 -39.99 24.05 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.02 -51.09 71.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.41 -42.31 77.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.184 0.594 . . . . 0.0 112.106 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.9 -63.96 0.99 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.008 0.433 . . . . 0.0 110.101 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -55.78 -23.68 31.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.42 -45.77 17.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.517 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.22 -34.31 70.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.561 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.43 -50.91 5.16 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.477 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -59.12 -45.31 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -65.25 -37.78 88.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.647 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.04 -31.69 56.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.46 -118.97 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.56 -162.26 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.76 74.37 1.21 Allowed 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 123.845 0.716 . . . . 0.0 110.009 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.82 -88.57 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.76 -50.36 69.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.73 -50.56 71.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 122.474 -0.141 . . . . 0.0 110.798 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.42 64.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.282 0.363 . . . . 0.0 110.234 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.64 -49.25 62.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.292 0.37 . . . . 0.0 110.989 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -36.08 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.87 -43.43 92.98 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.62 65.67 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.733 0.645 . . . . 0.0 109.531 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.54 -50.38 72.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.3 -38.28 79.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.57 -64.02 0.96 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.26 -46.92 2.38 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.121 0.969 . . . . 0.0 112.409 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.13 -39.77 75.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.86 -37.33 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -44.23 -49.59 9.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 124.508 1.13 . . . . 0.0 110.862 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.98 84.06 0.5 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -58.71 -174.82 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.323 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . 158.36 35.34 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -61.65 -53.0 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.545 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' A' ' 54' ' ' LEU . . . -66.13 -49.65 54.85 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.506 . . -55.84 -2.76 0.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.966 1.777 . . . . 0.0 110.664 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 52' ' ' ALA . . . -56.05 -40.49 73.59 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' CB ' ' CB ' ' A' ' 6' ' ' VAL . . . 170.35 149.19 0.15 Allowed Pre-proline 0 N--CA 1.455 -0.176 0 O-C-N 123.205 0.316 . . . . 0.0 111.825 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -70.5 67.39 2.17 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 N-CA-C 106.079 -2.316 . . . . 0.0 106.079 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' PHE . . . 63.22 178.51 0.15 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.6 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.16 112.93 2.9 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 107.43 -2.268 . . . . 0.0 107.43 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 65.69 13.71 9.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -175.85 80.66 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' CB ' ' CB ' ' A' ' 57' ' ' ALA . . . 169.45 -28.62 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -147.2 -143.09 0.13 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -158.57 170.9 21.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -159.48 65.26 2.62 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.143 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 64.19 -46.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.9 1.734 . . . . 0.0 110.223 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . -158.88 41.29 0.49 Allowed Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -77.29 159.81 29.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 65.02 175.75 0.2 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -65.0 -59.82 3.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 174.86 70.6 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 176.98 44.97 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.87 -30.33 63.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.243 0.217 . . . . 0.0 111.112 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.632 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . -53.37 -21.17 5.39 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -61.5 16.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 119.114 -0.47 . . . . 0.0 111.622 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.632 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -113.79 -13.09 12.66 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.968 0.907 . . . . 0.0 110.142 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.27 3.92 41.12 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.724 0.41 . . . . 0.0 111.495 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -158.62 57.44 0.44 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.64 0.2 . . . . 0.0 110.776 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.81 -34.98 4.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.863 0.727 . . . . 0.0 111.733 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.07 -56.86 7.35 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.34 -46.43 72.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.73 -46.46 81.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.64 65.19 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.51 -66.13 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.113 -0.47 . . . . 0.0 110.065 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.03 -34.86 1.87 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.236 0.96 . . . . 0.0 110.781 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.15 1.79 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 106.633 -2.587 . . . . 0.0 106.633 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.61 -47.06 40.29 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.292 0.642 . . . . 0.0 110.973 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.5 49.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.45 0.3 . . . . 0.0 111.363 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.77 -37.78 71.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.548 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.1 -43.03 61.01 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.622 0.725 . . . . 0.0 109.336 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.69 -33.62 62.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.712 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.75 -64.79 4.06 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.206 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.4 -36.67 89.42 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.62 -37.76 68.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.483 0.641 . . . . 0.0 110.089 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -74.23 -41.96 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -55.61 -52.08 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.86 67.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.577 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.38 67.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.17 -51.26 68.66 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.09 -51.62 15.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.6 -27.67 50.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.16 78.57 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -83.84 85.87 7.24 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.63 -25.52 55.64 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.9 -31.91 34.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -74.84 -36.09 62.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.115 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.13 -25.16 40.0 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.03 -47.39 9.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.54 -32.14 69.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -65.11 -57.9 7.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.49 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.27 -25.97 67.45 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.96 -33.11 59.77 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.1 -44.2 87.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -74.09 -26.53 60.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.58 13.57 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.77 -18.72 74.73 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.37 -56.97 7.55 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.2 -46.77 82.48 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.45 -50.0 72.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.47 75.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.065 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.82 -47.2 74.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -71.94 -36.41 69.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -65.63 -26.02 67.63 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -79.74 -67.03 0.8 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -77.32 -66.68 0.8 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -55.63 165.04 0.92 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 173.34 179.41 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 55.44 59.0 4.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 117.04 -1.457 . . . . 0.0 109.771 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -171.12 -61.81 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.654 ' C ' ' H ' ' A' ' 5' ' ' GLU . . . -170.49 -172.66 1.28 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 68.32 -23.86 0.13 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.654 ' H ' ' C ' ' A' ' 3' ' ' THR . . . -70.36 -50.62 37.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.31 -38.61 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.11 -48.81 50.08 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.24 -48.09 65.37 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.477 0.486 . . . . 0.0 110.896 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.95 89.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.29 -32.3 71.07 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.63 -38.48 91.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.29 87.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.846 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.48 -28.07 65.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.85 -37.03 67.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.85 -39.62 93.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.1 -64.31 0.99 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -54.53 -36.33 64.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.34 -71.79 0.69 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.78 -43.55 2.39 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.393 0.997 . . . . 0.0 114.115 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.84 -54.8 41.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.115 1.458 . . . . 0.0 108.227 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.0 -49.17 42.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.274 0.63 . . . . 0.0 112.145 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.32 -57.67 7.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.86 69.61 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.278 0.561 . . . . 0.0 110.188 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -78.0 -34.61 50.67 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.517 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.47 -58.48 3.93 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.625 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.93 -41.98 99.77 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.97 -37.22 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -68.94 -40.54 78.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.38 -16.68 53.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.504 0.322 . . . . 0.0 110.533 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.92 -142.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.271 0.228 . . . . 0.0 110.574 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.95 61.72 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -157.41 -152.74 0.37 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.65 -26.56 0.41 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 123.676 0.61 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -59.21 -50.14 75.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.88 78.2 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.99 61.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 123.416 0.448 . . . . 0.0 110.169 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.94 -47.14 68.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.84 -35.74 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.2 -43.4 91.68 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.45 -44.95 62.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.245 0.965 . . . . 0.0 109.112 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.84 -51.07 64.74 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.63 -34.28 75.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.46 -59.91 4.16 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.83 -42.46 1.81 Allowed 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.914 1.384 . . . . 0.0 109.452 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.49 -46.05 80.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -63.19 -47.38 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.41 66.75 4.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.49 -132.67 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -172.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.89 -148.63 0.07 Allowed 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 171.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -83.65 107.08 15.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -54.05 -39.36 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.497 0.189 . . . . 0.0 110.61 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.04 68.5 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.5 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.665 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -157.83 12.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.217 1.945 . . . . 0.0 111.234 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -83.98 -10.04 58.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.615 0.366 . . . . 0.0 110.393 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 78.2 -121.49 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.033 0.533 . . . . 0.0 110.075 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.554 ' O ' ' N ' ' A' ' 58' ' ' GLY 2.503 . . -177.34 -51.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 121.114 1.209 . . . . 0.0 111.446 -179.598 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.34 79.66 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.343 0.257 . . . . 0.0 110.993 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -158.68 96.2 0.15 Allowed Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.435 ' CB ' ' CB ' ' A' ' 67' ' ' GLN . . . 74.4 -87.71 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.871 0.468 . . . . 0.0 111.672 178.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 62' ' ' THR . . . 72.59 109.46 0.07 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.669 ' HA ' ' O ' ' A' ' 65' ' ' PRO . . . -54.82 50.47 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.825 ' N ' ' O ' ' A' ' 60' ' ' SER . . . -179.6 -54.24 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -69.7 -16.96 63.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.701 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -166.62 68.85 1.04 Allowed Pre-proline 0 N--CA 1.45 -0.473 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.669 ' O ' ' HA ' ' A' ' 61' ' ' SER 2.513 . . 55.49 -90.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 122.012 1.808 . . . . 0.0 110.023 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.68 113.4 0.29 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.435 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -50.72 165.07 0.11 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.542 0.337 . . . . 0.0 111.397 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -60.07 -44.53 94.68 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -154.63 79.28 1.08 Allowed 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.411 0.444 . . . . 0.0 110.072 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 172.81 168.66 0.13 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -165.56 124.81 1.7 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.91 -46.15 17.28 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.86 100.81 11.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.43 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . -118.69 57.89 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 O-C-N 124.37 1.044 . . . . 0.0 109.309 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 51.18 -88.91 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.553 0.533 . . . . 0.0 110.408 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' CB ' ' CB ' ' A' ' 80' ' ' ASP . . . -49.59 118.83 3.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.614 0.571 . . . . 0.0 110.256 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -57.33 -179.74 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.706 0.402 . . . . 0.0 111.505 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.01 -38.4 3.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.311 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.83 -61.69 1.69 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.439 ' CB ' ' CB ' ' A' ' 76' ' ' ALA . . . -54.27 -48.7 70.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.47 -46.65 76.83 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.79 60.58 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -63.79 1.04 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.39 -36.47 1.94 Allowed 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.952 0.782 . . . . 0.0 111.362 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.57 -67.28 2.26 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 106.543 -2.623 . . . . 0.0 106.543 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.58 -50.81 16.84 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.402 0.707 . . . . 0.0 111.235 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.98 22.07 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 122.46 0.304 . . . . 0.0 111.174 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.34 -41.91 69.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.77 -42.2 78.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.492 177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.48 -44.65 62.53 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -70.23 -36.51 74.58 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.425 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.25 -67.95 1.95 Allowed Glycine 0 CA--C 1.525 0.662 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.17 97.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.34 63.54 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 117.289 0.544 . . . . 0.0 110.137 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -71.41 -41.13 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.09 -53.23 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.67 -48.15 80.31 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.73 68.3 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.39 -51.48 69.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.51 -51.8 52.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.412 0.445 . . . . 0.0 110.507 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.32 174.31 11.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.92 21.81 44.08 Favored Glycine 0 C--N 1.339 0.702 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -78.32 61.84 2.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.784 0.292 . . . . 0.0 110.606 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.71 -27.24 70.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.26 -63.27 1.14 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.71 -9.63 55.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.0 -31.5 39.73 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.99 -41.26 23.08 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 107.423 -2.271 . . . . 0.0 107.423 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.87 77.62 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.1 83.15 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.09 -29.68 70.48 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 122.367 0.267 . . . . 0.0 110.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.33 -31.76 65.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -66.4 -27.61 67.98 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.79 -50.75 45.61 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.5 -24.05 75.74 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.8 -58.16 5.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.45 -48.89 79.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.17 -43.2 78.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.57 -47.02 70.47 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.06 -50.73 70.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -59.35 -39.11 82.15 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -69.29 -25.79 64.42 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -78.7 -59.5 2.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.43 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -73.44 -71.43 0.31 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 58.35 -169.8 0.12 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 69.77 77.88 0.2 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.03 59.21 0.3 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.786 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -73.73 -61.67 1.76 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -76.96 -65.6 0.93 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 61.58 79.38 0.25 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.05 -39.08 63.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.09 -46.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.675 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.09 -51.43 21.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.76 -44.77 63.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.477 0.486 . . . . 0.0 110.922 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -28.51 68.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -37.92 88.4 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.04 71.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.05 -25.6 61.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.05 -36.06 36.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.7 -25.13 61.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -73.29 -69.09 0.44 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.85 -32.77 67.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.78 -28.63 64.65 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.58 -38.91 68.39 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.024 -2.031 . . . . 0.0 108.024 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.14 -52.11 66.74 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.31 -49.91 41.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 112.839 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.12 -61.29 2.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.278 0.231 . . . . 0.0 111.343 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.67 -27.23 38.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -79.01 -37.03 40.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.215 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.32 -38.87 71.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.425 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.14 -45.2 41.62 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.484 -1.846 . . . . 0.0 108.484 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.51 -42.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.85 72.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.65 -33.98 77.15 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -99.11 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.85 -96.8 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.01 51.39 0.6 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.63 -133.94 0.33 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 124.435 1.084 . . . . 0.0 112.176 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -66.06 -38.9 89.51 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.975 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.88 29.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.6 -55.28 20.15 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.372 -0.347 . . . . 0.0 111.253 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.29 -52.01 48.99 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.278 0.361 . . . . 0.0 110.355 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.54 -37.96 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.002 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.95 -43.37 92.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.19 -46.14 62.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.225 0.953 . . . . 0.0 109.698 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.89 71.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.48 -38.22 86.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.9 -62.62 1.54 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.26 -47.81 4.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 124.165 0.915 . . . . 0.0 111.939 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.36 -43.97 68.2 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.823 0.344 . . . . 0.0 110.083 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -69.7 -36.78 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -50.26 -54.31 22.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.713 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.47 77.69 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . -57.13 -179.21 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.075 -177.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . 165.27 28.52 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.242 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -88.25 110.95 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.761 ' O ' ' O ' ' A' ' 56' ' ' PRO . . . 158.1 -49.27 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.468 . . -82.98 -3.65 11.12 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 124.366 3.377 . . . . 0.0 111.357 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -62.03 -31.59 72.0 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -150.81 50.25 0.69 Allowed Pre-proline 0 N--CA 1.453 -0.312 0 O-C-N 123.54 0.525 . . . . 0.0 109.634 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.761 ' O ' ' O ' ' A' ' 52' ' ' ALA . . . 59.24 -107.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 121.261 1.308 . . . . 0.0 108.982 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.25 21.87 4.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.981 0.512 . . . . 0.0 109.891 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.781 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 84.94 39.57 8.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 53.17 -61.93 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.781 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 72.25 75.74 0.16 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -61.49 -176.93 0.08 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.84 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -164.27 20.24 0.06 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.83 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 62.16 44.37 7.87 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.596 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -144.78 59.68 6.56 Favored Pre-proline 0 N--CA 1.453 -0.317 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -161.74 -170.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.437 2.091 . . . . 0.0 109.097 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.4 33.79 0.19 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -82.51 175.36 10.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -150.81 156.57 41.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 123.585 0.553 . . . . 0.0 110.955 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 171.34 -45.84 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.1 -86.19 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -140.85 -16.25 0.88 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 117.587 -1.197 . . . . 0.0 109.788 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -10.35 123.14 0.01 OUTLIER 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.574 1.95 . . . . 0.0 113.196 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 154.37 -72.17 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 76' ' ' ALA . . . 58.11 -115.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.709 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 76.07 -36.31 0.28 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 74' ' ' ILE . . . -68.66 78.71 0.29 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.228 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 71.51 69.28 0.16 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.84 -35.7 24.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 123.483 0.489 . . . . 0.0 109.984 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.09 -54.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.58 -39.65 68.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.0 -48.8 75.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.03 62.38 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.14 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.13 14.2 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 123.498 0.499 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.88 -70.92 0.78 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.773 -2.131 . . . . 0.0 107.773 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.05 -44.28 31.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.382 0.695 . . . . 0.0 110.589 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.58 64.13 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 110.732 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.35 -44.41 72.11 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.33 -41.14 92.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.79 -44.46 48.97 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.438 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.72 -34.86 62.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.846 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.68 -65.62 3.31 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 114.097 -1.41 . . . . 0.0 110.839 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.35 83.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.46 91.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.326 0.563 . . . . 0.0 109.888 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.21 -45.53 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -61.95 -39.77 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.54 72.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.08 93.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.26 -53.86 52.21 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -65.03 -51.2 62.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.86 -18.97 5.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.4 14.61 82.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -82.96 86.18 7.02 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.88 -25.64 53.16 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.84 35.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.65 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -71.12 -34.81 71.41 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.05 -25.92 39.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.594 0.358 . . . . 0.0 110.599 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.75 -50.79 6.81 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.91 -37.78 82.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.65 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.38 -56.66 14.53 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.557 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -55.97 -30.9 62.45 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.073 0.549 . . . . 0.0 112.214 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.87 -33.23 63.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -57.61 -44.45 85.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.438 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.23 -26.84 61.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.883 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.71 11.05 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.27 -23.12 74.7 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -57.97 7.0 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.19 -46.99 75.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.58 -53.87 51.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.23 68.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.422 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.62 -45.94 70.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 123.172 0.295 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.71 -40.09 66.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -61.7 -32.63 72.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -76.05 -44.66 38.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -54.88 -67.76 0.24 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 175.52 -51.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 69.38 -177.53 0.21 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -55.66 -62.41 1.71 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.736 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -162.74 -62.66 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 175.38 -61.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.7 -35.65 66.31 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.43 -47.24 57.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.71 -34.09 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.54 -50.75 16.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.34 -43.88 64.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.429 0.456 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.84 99.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.61 -28.44 67.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.98 -38.74 89.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.92 -45.27 82.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.3 -22.71 65.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.09 -43.16 22.25 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.35 -22.28 65.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -74.44 -66.15 0.77 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.8 -36.41 74.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.6 -39.18 56.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.13 -42.27 96.59 Favored Glycine 0 C--N 1.335 0.505 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -50.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.88 -50.2 46.71 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.137 0.575 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.6 -61.72 2.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.361 0.264 . . . . 0.0 111.369 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.26 46.6 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 123.787 0.68 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -69.21 -39.81 78.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.492 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.78 -46.64 52.24 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.52 -49.66 18.41 Favored Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -55.25 -51.89 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.6 69.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.09 -31.19 55.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -114.59 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -89.61 -166.43 1.59 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.34 81.33 1.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.022 0.826 . . . . 0.0 111.525 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.69 -88.11 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -68.9 -40.98 78.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.17 34.7 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -51.44 -44.41 62.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 122.618 0.367 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.57 -46.53 80.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -58.96 -40.28 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.693 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.17 -43.22 87.52 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 105.647 -1.982 . . . . 0.0 105.647 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.08 62.72 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.231 0.957 . . . . 0.0 110.026 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.49 72.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -46.19 91.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -49.58 -64.69 0.73 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.167 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.54 -46.19 4.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 124.646 1.216 . . . . 0.0 111.926 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.86 -39.6 65.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.07 -39.91 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.241 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.94 -51.59 67.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.11 -83.58 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -38.6 125.24 1.39 Allowed 'General case' 0 C--N 1.341 0.233 0 O-C-N 125.259 1.6 . . . . 0.0 109.959 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -87.59 155.92 19.74 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.697 -1.138 . . . . 0.0 113.419 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' A' ' 53' ' ' PRO . . . -71.75 -43.12 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.548 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.27 1.72 0.02 OUTLIER Pre-proline 0 N--CA 1.447 -0.59 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.448 ' N ' ' C ' ' A' ' 51' ' ' VAL . . . -70.87 -5.1 16.14 Favored 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 121.928 1.752 . . . . 0.0 110.7 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -139.18 9.61 2.53 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.424 0.69 . . . . 0.0 110.262 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -163.29 167.31 11.72 Favored Pre-proline 0 N--CA 1.45 -0.446 0 CA-C-N 117.687 0.222 . . . . 0.0 111.138 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.513 . . 147.95 -39.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.763 2.975 . . . . 0.0 108.37 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.03 105.11 2.52 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.37 80.07 0.73 Allowed Glycine 0 C--N 1.336 0.53 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -177.54 37.22 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -173.89 -171.96 0.69 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -177.37 -154.44 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 121.232 -0.187 . . . . 0.0 110.985 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -88.88 -93.9 0.11 Allowed 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 123.681 0.613 . . . . 0.0 110.1 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -151.49 165.11 35.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 58.78 85.43 0.18 Allowed Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.527 . . 79.96 176.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 122.233 1.955 . . . . 0.0 107.097 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.97 170.22 13.08 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -80.52 -172.07 3.39 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 86.36 65.02 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.404 1.082 . . . . 0.0 111.381 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 51.12 -163.83 0.06 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.271 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.745 ' O ' ' N ' ' A' ' 72' ' ' ALA . . . -55.16 -69.04 0.14 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.865 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -56.64 61.91 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.745 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -75.65 123.67 25.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 170.72 -90.83 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 82.15 -175.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 C-N-CA 123.291 0.637 . . . . 0.0 111.585 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 169.58 127.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 91.33 144.02 0.03 OUTLIER 'General case' 0 C--N 1.339 0.112 0 O-C-N 124.606 1.191 . . . . 0.0 110.613 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -46.25 149.49 0.72 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -52.69 -25.9 12.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.773 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.7 -54.62 40.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -56.22 -41.95 76.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.48 -48.47 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.88 65.14 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.25 -63.75 1.05 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.71 -34.94 8.92 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.77 0.669 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.13 -69.56 1.2 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.652 -2.179 . . . . 0.0 107.652 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.01 -48.58 43.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.031 -0.584 . . . . 0.0 111.34 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.53 67.0 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.063 0.459 . . . . 0.0 110.437 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.1 -49.52 63.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.374 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.32 -39.31 82.72 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.237 -0.411 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -49.27 -48.03 46.27 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.364 0.602 . . . . 0.0 109.417 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -34.6 63.36 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.468 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -50.96 -67.92 1.72 Allowed Glycine 0 CA--C 1.534 1.254 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.534 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.14 60.41 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -64.01 -37.81 88.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.462 0.631 . . . . 0.0 109.43 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.69 -45.02 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.0 -38.7 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.09 -51.53 69.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.33 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.04 -36.53 66.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.918 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.425 ' CB ' ' CB ' ' A' ' 36' ' ' ALA . . . -62.61 -55.05 30.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.114 0.166 . . . . 0.0 110.807 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -71.37 -70.25 0.33 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.741 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.05 84.07 5.84 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.355 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 49.74 -169.5 0.19 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 59.35 47.99 10.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 122.403 0.281 . . . . 0.0 111.267 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.23 -27.09 74.07 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.27 -50.73 17.74 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.35 -16.35 64.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -69.95 -68.53 0.41 Allowed 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -50.45 -39.69 37.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.63 98.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.96 99.53 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.876 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -69.14 -19.75 64.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 122.878 0.471 . . . . 0.0 110.931 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -77.84 -34.72 51.72 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.02 -43.2 86.58 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.8 -27.89 64.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 -49.24 49.1 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -77.41 -21.86 71.74 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.13 -56.0 7.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.55 -48.7 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.67 -54.0 47.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -51.58 -44.53 62.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.348 0.405 . . . . 0.0 110.35 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.38 -56.62 18.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -56.85 -41.47 77.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.92 66.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 123.206 0.317 . . . . 0.0 110.157 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -64.62 -45.7 85.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -56.16 -70.83 0.1 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 175.46 -63.45 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 68.35 178.17 0.25 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.12 -179.99 0.13 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.029 -1.463 . . . . 0.0 109.846 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.689 ' O ' ' N ' ' A' ' 4' ' ' LYS . . . 175.47 -179.43 0.13 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -53.5 69.93 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -158.51 62.7 0.43 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -72.23 -48.46 42.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.91 -42.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.68 -50.6 34.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -49.48 -48.05 48.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.667 0.604 . . . . 0.0 111.298 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.14 98.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -31.12 68.73 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.4 93.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.61 98.22 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.102 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.25 -27.03 68.71 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.9 -34.91 62.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.11 -38.36 75.6 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -60.46 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.79 -32.01 67.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.54 -77.78 0.15 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 108.501 -1.84 . . . . 0.0 108.501 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.97 -42.38 2.23 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.614 1.102 . . . . 0.0 115.198 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.7 -51.54 69.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.665 1.733 . . . . 0.0 108.253 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.4 -48.9 71.05 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.137 0.575 . . . . 0.0 111.993 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.47 -57.77 10.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -18.36 21.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -80.47 -47.79 13.8 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.51 -30.3 68.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.49 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.1 -48.66 6.36 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 31' ' ' PHE . . . -62.31 -35.82 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -42.11 87.15 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.717 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -76.07 0.14 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.92 66.48 9.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' A' ' 27' ' ' VAL . . . -47.66 151.56 0.83 Allowed 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.726 0.641 . . . . 0.0 111.564 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -160.61 -7.56 0.05 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.447 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 77.02 -51.93 0.56 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.94 0.496 . . . . 0.0 110.282 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.62 -48.9 77.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.008 0.123 . . . . 0.0 110.693 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.6 80.09 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.47 68.5 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -50.5 -48.06 57.05 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.328 0.392 . . . . 0.0 111.051 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.35 -28.81 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -68.99 -45.05 71.58 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.06 -41.55 68.27 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.28 -51.56 67.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.33 -36.77 78.73 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.03 -65.92 0.49 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.66 -46.73 2.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.297 1.039 . . . . 0.0 112.799 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.74 -38.82 72.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 49' ' ' THR . . . -71.35 -40.35 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.03 -49.32 51.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.806 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.9 -75.47 0.18 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 46' ' ' ILE . . . -39.11 113.57 0.32 Allowed 'General case' 0 C--N 1.343 0.289 0 O-C-N 125.481 1.738 . . . . 0.0 108.804 176.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -86.16 152.64 22.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.81 -1.086 . . . . 0.0 113.548 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -67.84 -39.33 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.71 96.15 0.13 Allowed Pre-proline 0 N--CA 1.447 -0.609 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.517 . . -167.86 -1.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 123.133 2.555 . . . . 0.0 110.276 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -85.31 1.62 47.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . 167.66 171.07 0.1 OUTLIER Pre-proline 0 N--CA 1.454 -0.266 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.523 . . -57.81 -68.68 0.05 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.018 0 N-CA-C 106.469 -2.166 . . . . 0.0 106.469 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' THR . . . -153.67 -178.96 7.37 Favored 'General case' 0 N--CA 1.446 -0.648 1 N-CA-C 100.085 -4.043 . . . . 0.0 100.085 175.654 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.46 -79.31 0.08 OUTLIER Glycine 0 CA--C 1.522 0.483 0 CA-C-N 121.432 1.924 . . . . 0.0 111.11 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.432 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 57.09 -110.4 0.54 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -66.44 -145.69 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.717 0.407 . . . . 0.0 110.655 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.642 ' HA ' ' O ' ' A' ' 73' ' ' ALA . . . 67.18 65.21 0.43 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -167.45 -38.67 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.229 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -101.66 170.49 8.14 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 123.979 0.799 . . . . 0.0 109.841 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -155.25 -167.38 0.17 Allowed Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.512 . . -175.07 171.31 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 121.722 1.615 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.08 127.03 7.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 69.3 142.5 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 70' ' ' ALA . . . -50.38 -90.44 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.665 0.386 . . . . 0.0 111.631 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 57.31 -82.25 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -81.13 -152.06 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 176.85 31.17 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 121.343 -0.143 . . . . 0.0 110.708 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.88 -33.35 71.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.642 ' O ' ' HA ' ' A' ' 61' ' ' SER . . . -46.31 -65.12 0.6 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.424 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . 153.68 -155.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.241 0 O-C-N 124.412 1.07 . . . . 0.0 110.428 -176.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -139.12 -130.91 0.12 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.33 -61.29 2.33 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -168.03 162.01 12.99 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -34.21 2.89 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.095 0.872 . . . . 0.0 111.288 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.01 -55.39 14.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -55.25 -48.14 74.39 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.68 -48.2 75.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.3 -39.53 65.11 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.46 -66.67 0.35 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.163 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.0 -35.72 3.06 Favored 'General case' 0 C--N 1.341 0.202 0 O-C-N 124.1 0.875 . . . . 0.0 110.739 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.14 -68.93 1.37 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.72 -46.03 40.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.164 0.567 . . . . 0.0 111.019 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.59 49.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.193 0.308 . . . . 0.0 111.009 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.74 -38.34 69.66 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.25 99.21 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 123.731 0.644 . . . . 0.0 110.412 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.28 -43.01 53.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.593 0.711 . . . . 0.0 109.307 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.58 -36.09 63.02 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.359 -1.292 . . . . 0.0 109.68 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.13 -65.09 3.61 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 114.0 -1.455 . . . . 0.0 109.958 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.5 92.84 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.08 75.4 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 117.217 0.508 . . . . 0.0 109.961 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.98 -41.87 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.51 -48.85 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.14 79.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -59.81 -37.25 78.62 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.17 -50.45 64.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.779 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.39 162.38 1.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 57.56 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 119.735 -0.174 . . . . 0.0 110.729 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.779 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -100.53 -100.2 2.36 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -153.1 127.88 9.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.108 0.48 . . . . 0.0 111.418 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.04 -15.66 58.69 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -29.05 35.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.961 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -73.25 -36.19 66.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.576 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -80.05 -26.54 39.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.59 -48.97 6.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.22 -35.2 66.26 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.961 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.76 -54.1 40.61 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.715 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.73 -27.02 67.61 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.75 0.42 . . . . 0.0 111.47 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.97 -31.58 61.49 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.55 -41.67 90.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.64 -27.8 61.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.09 -53.55 36.16 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.89 -20.08 74.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.11 -59.8 2.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.07 -45.81 93.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.76 -44.84 82.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.39 74.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.77 -52.36 65.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.381 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.705 ' O ' ' O ' ' A' ' 126' ' ' ARG . . . -65.42 -61.45 2.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -48.86 -26.85 2.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.679 0.612 . . . . 0.0 110.603 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -71.16 -53.24 15.19 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -77.57 -53.68 7.31 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.705 ' O ' ' O ' ' A' ' 122' ' ' HIS . . . -160.42 177.55 10.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -171.37 79.5 0.07 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -159.46 -51.57 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.748 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -162.86 55.04 0.2 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -76.62 64.41 2.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -159.28 -33.98 0.06 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.31 -51.08 26.35 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.77 -36.43 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 68' ' ' THR . . . -73.94 -50.48 19.85 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.48 -42.2 64.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.5 0.5 . . . . 0.0 110.277 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.15 94.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.1 -28.0 67.48 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.0 -37.63 88.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -45.16 66.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.16 -24.05 57.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.65 -38.58 33.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -23.46 62.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.7 -68.63 0.46 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.38 -30.88 65.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.35 69.13 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.42 -40.35 97.68 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.438 ' CB ' ' CB ' ' A' ' 42' ' ' LYS . . . -57.88 -51.86 67.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.82 -49.13 40.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.202 0.601 . . . . 0.0 111.893 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -66.71 -62.97 1.17 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.619 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -32.84 36.13 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 123.551 0.532 . . . . 0.0 109.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.419 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -74.65 -42.38 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.751 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -64.76 -44.31 90.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.13 -48.07 21.31 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.15 -51.14 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.98 63.78 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -67.84 -37.25 81.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.61 -100.59 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.84 -123.46 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -87.25 -160.88 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.72 0.408 . . . . 0.0 110.062 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 51.44 -69.03 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.499 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -46.34 -61.51 1.76 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -53.86 -65.39 0.58 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.2 -70.22 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.7 -61.77 1.93 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.521 0.329 . . . . 0.0 111.733 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.07 -50.49 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 122.878 0.471 . . . . 0.0 112.173 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.97 -42.67 99.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -48.77 -56.95 7.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -56.46 21.97 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' CB ' ' CB ' ' A' ' 20' ' ' SER . . . -61.89 -52.44 64.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.378 -0.201 . . . . 0.0 111.371 -177.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -49.56 -57.14 7.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.33 0.652 . . . . 0.0 109.843 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.93 -45.0 10.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.411 0.444 . . . . 0.0 110.281 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' LEU . . . -57.88 -43.35 85.98 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -52.98 -35.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -66.61 107.05 1.97 Allowed 'General case' 0 CA--C 1.512 -0.487 1 N-CA-C 93.643 -6.429 . . . . 0.0 93.643 170.296 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.84 148.48 28.8 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 119.39 0.995 . . . . 0.0 113.681 -165.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.46 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -80.31 9.07 6.23 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.51 173.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 134.23 56.94 0.0 OUTLIER 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.415 1.886 . . . . 0.0 112.286 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.762 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -62.74 -44.85 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 120.248 1.385 . . . . 0.0 109.529 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.95 62.24 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.543 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.762 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.509 . . -175.77 23.52 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 121.63 1.553 . . . . 0.0 111.111 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -81.55 -24.77 36.37 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -135.07 -178.99 0.96 Allowed Pre-proline 0 C--N 1.341 0.199 0 O-C-N 123.856 0.723 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -51.81 -45.68 36.81 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.904 2.402 . . . . 0.0 110.292 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.99 -127.0 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.47 93.04 0.32 Allowed Glycine 0 C--N 1.339 0.75 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 75.19 24.64 1.42 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 122.855 0.462 . . . . 0.0 109.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 170.65 -176.57 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.426 ' CB ' ' CB ' ' A' ' 75' ' ' TRP . . . -85.14 -164.04 0.93 Allowed 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 123.482 0.489 . . . . 0.0 110.19 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -158.44 68.83 0.48 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 71.26 2.91 4.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.973 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -56.32 -52.73 70.75 Favored Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.508 . . 162.61 -45.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 121.934 1.756 . . . . 0.0 109.72 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.91 -113.05 0.3 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 174.01 -62.74 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.425 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . 171.47 -56.98 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -157.97 33.6 0.25 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.39 -21.49 64.11 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 72.17 125.95 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.251 0.344 . . . . 0.0 110.079 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . . . 70.07 21.27 6.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.84 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.651 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . 55.15 55.91 7.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -64.51 29.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.205 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.651 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -93.17 -11.84 31.78 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.339 0.656 . . . . 0.0 110.109 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.88 -164.59 1.16 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 25.86 50.34 0.02 OUTLIER 'General case' 0 C--N 1.34 0.191 0 O-C-N 125.143 1.527 . . . . 0.0 114.557 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.89 -42.57 17.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 123.579 0.55 . . . . 0.0 111.723 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.73 -60.95 2.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.588 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -50.83 -42.65 58.65 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 123.692 0.62 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.12 -47.39 78.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.65 -37.03 74.07 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.38 -62.45 1.65 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -52.34 -39.68 60.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.28 -63.03 4.29 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 107.136 -2.386 . . . . 0.0 107.136 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -51.3 -40.93 60.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.489 -0.856 . . . . 0.0 109.497 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.58 -53.54 50.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 123.311 0.382 . . . . 0.0 111.184 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.35 -40.57 71.41 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.89 -41.13 86.41 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.99 -39.12 54.9 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -72.56 -35.38 67.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.614 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.01 -69.59 1.12 Allowed Glycine 0 CA--C 1.526 0.761 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.871 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.83 91.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.0 67.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.849 0.824 . . . . 0.0 110.396 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -62.73 -37.03 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.18 -52.03 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.71 74.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.333 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.99 -40.82 67.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -53.85 -53.51 51.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -72.71 -45.12 60.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.77 71.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.113 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 75.76 -162.97 53.32 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 72.88 125.13 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.553 0.341 . . . . 0.0 110.631 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.16 -13.2 83.18 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.03 -55.42 4.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.21 65.92 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -66.6 -66.86 0.5 Allowed 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.26 -37.82 25.11 Favored Glycine 0 C--N 1.337 0.636 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.42 94.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.03 66.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.657 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.419 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -61.93 -21.11 64.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.18 -37.02 34.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.07 -41.75 75.59 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.428 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.64 -28.42 61.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.07 -43.56 71.67 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.38 -25.33 59.29 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.75 -43.94 91.71 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.71 -47.44 39.47 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.601 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.88 -52.22 65.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.33 77.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.76 -45.84 70.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.244 0.34 . . . . 0.0 110.089 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.26 -70.92 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -52.68 -25.11 9.98 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 123.248 0.343 . . . . 0.0 110.209 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -61.96 -42.58 99.28 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.536 ' C ' ' H ' ' A' ' 127' ' ' GLU . . . -53.93 -47.73 70.95 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.43 ' CB ' ' CB ' ' A' ' 72' ' ' ALA . . . -75.94 33.76 0.12 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.536 ' H ' ' C ' ' A' ' 125' ' ' TYR . . . -61.75 176.11 0.56 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -75.54 -60.77 2.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 116.96 -1.495 . . . . 0.0 109.768 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' CB ' ' CB ' ' A' ' 5' ' ' GLU 2.441 . . . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.32 -58.27 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -68.82 -59.56 3.0 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -173.72 80.1 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' CB ' ' CB ' ' A' ' 1' ' ' ALA . . . -68.45 -54.55 16.25 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.28 -36.03 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.56 -50.67 34.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.75 -47.5 59.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.562 0.539 . . . . 0.0 111.163 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.53 97.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.07 -31.67 69.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.16 -37.91 89.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.84 92.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.89 -28.8 67.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -70.9 -40.06 72.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.07 -38.84 92.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -56.98 -64.71 0.79 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.17 -33.32 65.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.0 -74.48 0.33 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.79 -42.81 2.21 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.504 1.049 . . . . 0.0 114.421 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.86 -51.62 68.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.928 1.364 . . . . 0.0 108.01 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.57 -48.34 77.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.181 0.592 . . . . 0.0 112.521 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.54 -58.22 8.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.835 0.35 . . . . 0.0 110.299 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -20.72 59.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.979 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.12 -42.79 22.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.232 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.95 -31.9 56.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.546 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.23 4.67 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.55 -47.98 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.57 -37.08 85.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.019 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.15 -30.77 58.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.791 0.269 . . . . 0.0 110.508 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -121.72 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.93 -155.28 0.27 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -146.33 -171.65 3.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.976 0.797 . . . . 0.0 110.553 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 70.74 -85.31 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.23 -53.86 49.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -54.9 -49.74 70.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 122.301 0.24 . . . . 0.0 110.806 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.38 63.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.373 0.421 . . . . 0.0 109.935 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.89 -48.88 66.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.225 0.328 . . . . 0.0 110.437 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -38.24 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.534 0.206 . . . . 0.0 111.044 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.89 -42.13 97.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.04 -45.5 64.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.009 0.818 . . . . 0.0 109.563 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.02 38.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.34 -33.59 72.63 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.6 -60.36 3.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.88 -40.9 2.26 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.774 1.296 . . . . 0.0 110.078 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -62.35 -50.34 71.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.94 -44.7 95.06 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -79.06 70.74 5.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 103.369 -2.826 . . . . 0.0 103.369 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -84.04 131.83 34.78 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 -175.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -68.8 61.81 0.1 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 121.321 1.873 . . . . 0.0 106.991 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -167.09 -20.88 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -56.72 120.79 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 119.582 1.083 . . . . 0.0 109.934 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -178.14 39.31 0.02 OUTLIER Pre-proline 0 N--CA 1.447 -0.588 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -153.97 -105.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.053 2.502 . . . . 0.0 108.956 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 55' ' ' PHE . . . 68.36 70.54 0.31 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 54' ' ' LEU . . . 105.28 -177.44 0.0 OUTLIER Pre-proline 0 C--N 1.342 0.264 0 C-N-CA 125.651 1.58 . . . . 0.0 111.22 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.522 . . 74.66 135.5 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.076 0 N-CA-C 106.581 -2.123 . . . . 0.0 106.581 -177.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 52.4 31.61 9.88 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 117.902 0.319 . . . . 0.0 110.63 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.66 68.22 0.04 OUTLIER Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.306 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 68.87 77.95 0.22 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.996 0.398 . . . . 0.0 111.248 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 62' ' ' THR . . . -160.02 178.0 10.16 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -67.47 60.07 0.06 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' SER . . . -176.92 -66.67 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -54.31 -24.69 20.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 178.39 176.14 0.32 Allowed Pre-proline 0 N--CA 1.449 -0.511 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -167.93 43.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.662 1.575 . . . . 0.0 110.096 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.88 58.63 0.33 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -160.7 -155.45 0.42 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -147.43 154.8 41.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 123.634 0.584 . . . . 0.0 110.011 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -178.96 -50.08 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.93 -52.46 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -178.61 105.36 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.94 -55.26 36.83 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.77 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.59 124.17 49.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -102.85 -15.67 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.748 0.819 . . . . 0.0 109.97 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.432 ' O ' ' CB ' ' A' ' 76' ' ' ALA . . . 75.07 94.06 0.07 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 122.946 0.498 . . . . 0.0 110.128 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 75' ' ' TRP . . . 137.52 108.34 0.0 OUTLIER 'General case' 0 C--N 1.342 0.277 0 O-C-N 125.579 1.799 . . . . 0.0 106.966 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -57.62 -179.26 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.491 0.316 . . . . 0.0 110.992 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.37 -45.47 17.77 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.973 0.509 . . . . 0.0 111.877 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.96 -56.36 17.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.427 ' CB ' ' CB ' ' A' ' 76' ' ' ALA . . . -53.27 -31.34 43.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 83' ' ' ALA . . . -58.63 -57.87 11.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.37 -6.4 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 81' ' ' PHE . . . -80.57 -74.27 0.32 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.23 -37.39 10.34 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 123.864 0.728 . . . . 0.0 110.462 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.9 -63.68 4.79 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.849 -2.9 . . . . 0.0 105.849 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.37 -47.68 18.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 124.606 0.827 . . . . 0.0 110.89 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.48 -55.1 28.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.379 0.272 . . . . 0.0 111.505 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.6 -44.65 73.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.55 -42.2 78.12 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.62 -44.13 57.11 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.551 0.691 . . . . 0.0 109.165 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -71.65 -36.89 70.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.507 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.34 -67.14 2.37 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.531 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.92 98.21 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.38 -38.61 66.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.215 0.508 . . . . 0.0 110.177 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.27 -41.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.24 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.06 -57.39 13.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.15 63.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.48 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.99 -52.2 66.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.32 -41.47 62.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.95 -104.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.25 36.7 0.02 OUTLIER Glycine 0 C--N 1.336 0.572 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.413 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -101.12 90.86 4.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.668 0.787 . . . . 0.0 110.006 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.1 -25.59 57.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.85 36.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.652 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -73.54 -34.91 65.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.01 -28.17 39.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.87 -46.65 10.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.87 70.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.652 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.57 -53.14 56.42 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.46 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.3 -28.99 68.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.354 0.262 . . . . 0.0 111.037 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.01 -32.95 65.46 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.84 -45.24 95.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.65 -28.02 67.36 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.12 52.61 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 108.859 -1.697 . . . . 0.0 108.859 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -55.48 -65.89 3.23 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -47.44 -64.76 0.7 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.879 0.339 . . . . 0.0 111.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -57.45 -70.57 0.12 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.29 -67.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.27 -39.85 22.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 125' ' ' TYR . . . -58.62 -50.47 73.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -63.84 -45.91 87.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -45.95 -57.05 4.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.353 0.661 . . . . 0.0 112.183 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -80.03 -52.69 7.51 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.403 ' CB ' ' O ' ' A' ' 121' ' ' CYS . . . -69.16 58.06 0.1 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 175.69 -175.86 0.1 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.91 60.94 0.19 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.95 179.56 7.49 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.764 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -59.1 -60.59 3.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 70.82 -174.96 0.18 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -174.92 81.86 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.14 -51.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.94 -40.83 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.511 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -50.36 35.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.61 -47.57 66.87 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 123.446 0.466 . . . . 0.0 110.714 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.16 92.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.2 -28.42 67.96 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -67.05 -39.48 86.92 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.36 91.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.76 -28.06 67.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.63 -31.31 61.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.9 -36.8 75.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.05 -65.11 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.39 -34.99 67.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.97 -73.72 0.41 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.81 -41.79 1.95 Allowed Glycine 0 C--N 1.338 0.692 0 C-N-CA 124.332 0.968 . . . . 0.0 114.476 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.12 -55.81 29.36 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 118.959 1.38 . . . . 0.0 108.384 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.28 -48.06 46.32 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.601 0.761 . . . . 0.0 113.007 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.21 -57.48 6.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.71 -29.25 67.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.449 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.2 -28.03 38.73 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.699 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.19 -61.25 1.96 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.064 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -38.96 96.73 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -65.22 -36.24 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.23 69.49 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.55 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -79.99 -26.45 39.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.19 -117.7 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -92.48 -156.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.68 77.61 0.98 Allowed 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.533 0.521 . . . . 0.0 110.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.72 -91.97 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.65 -53.56 55.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -55.41 -48.98 73.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.616 0.189 . . . . 0.0 110.816 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.36 56.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.452 0.47 . . . . 0.0 110.052 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.72 -49.61 62.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 123.326 0.391 . . . . 0.0 110.64 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.75 -35.98 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.546 0.212 . . . . 0.0 111.071 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.47 -42.85 95.67 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -52.18 -45.11 64.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.074 0.859 . . . . 0.0 109.185 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.6 -54.26 43.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.53 -32.96 73.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.01 -60.61 3.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.66 -44.21 3.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 124.643 1.215 . . . . 0.0 110.144 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.93 -46.14 74.91 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.3 -37.03 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.36 5.91 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 102.505 -3.146 . . . . 0.0 102.505 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.88 -136.45 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -172.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.92 -148.82 0.08 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 103.049 -2.945 . . . . 0.0 103.049 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -84.45 111.02 19.09 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -55.08 -35.35 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' C ' ' H ' ' A' ' 54' ' ' LEU . . . -51.23 -31.5 5.69 Favored Pre-proline 0 N--CA 1.451 -0.389 0 O-C-N 123.721 0.638 . . . . 0.0 110.002 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.505 . . -63.87 2.66 0.95 Allowed 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.225 1.95 . . . . 0.0 111.056 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 52' ' ' ALA . . . -73.13 -26.97 61.41 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -132.61 175.2 3.89 Favored Pre-proline 0 C--N 1.34 0.157 0 O-C-N 124.064 0.852 . . . . 0.0 109.372 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.507 . . -53.44 -40.39 78.62 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.446 2.098 . . . . 0.0 109.23 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.27 27.17 0.06 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.76 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 102.45 25.26 7.85 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 53.95 -62.59 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.76 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 73.74 73.6 0.12 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.557 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -73.35 -177.51 2.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -166.93 27.38 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 54.52 54.8 8.81 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.427 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -77.55 -97.22 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.481 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -81.91 -82.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.474 2.116 . . . . 0.0 109.602 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.14 173.98 33.42 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 173.86 171.7 0.18 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -127.87 126.47 41.64 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 124.16 0.913 . . . . 0.0 109.643 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 174.84 48.7 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 55.13 64.54 1.76 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . . . 55.74 47.48 20.36 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.95 -35.25 70.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.361 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -80.15 -11.84 59.71 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.448 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 6.56 51.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.343 0.3 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.477 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -58.34 155.66 11.39 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 164.82 -51.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 157.66 101.85 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.8 -39.61 5.43 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 123.779 0.674 . . . . 0.0 111.704 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -58.68 -45.58 89.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.46 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.46 -52.27 65.33 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.46 -38.36 34.59 Favored Glycine 0 C--N 1.339 0.703 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.91 -64.72 0.74 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -41.31 -36.1 0.75 Allowed 'General case' 0 C--N 1.34 0.191 0 O-C-N 124.49 1.119 . . . . 0.0 111.338 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.88 -69.38 1.28 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.12 -49.43 16.67 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 124.749 0.911 . . . . 0.0 110.995 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.97 -54.81 29.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.528 0.331 . . . . 0.0 111.417 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.38 -44.6 72.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.05 -42.45 85.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.283 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -51.42 -49.1 62.31 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.309 0.576 . . . . 0.0 110.309 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -72.08 -34.52 68.75 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.014 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.93 -67.55 2.15 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.04 91.4 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.839 -0.505 . . . . 0.0 111.839 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -67.24 -34.7 78.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 117.649 0.725 . . . . 0.0 110.219 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.574 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -67.27 -43.36 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -66.86 -37.84 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -53.77 42.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.42 72.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.42 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.12 1.78 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.15 -38.96 42.47 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -77.8 -146.05 2.6 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.06 -178.26 4.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.986 0.914 . . . . 0.0 109.104 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.52 -19.16 74.36 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.08 35.63 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.87 -34.48 62.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.836 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -79.14 -26.62 42.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.64 -44.75 11.96 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.09 63.99 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.34 77.32 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -59.74 -32.83 70.92 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 122.772 0.429 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.31 -27.27 62.33 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.91 -43.69 98.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -71.68 -25.45 62.11 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.909 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.53 -54.9 17.05 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -75.34 -21.78 77.07 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.3 -60.43 2.99 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.65 -47.54 80.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.31 -40.52 78.05 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -57.92 -45.47 86.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.57 -45.94 77.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 125' ' ' TYR . . . -66.62 -63.34 1.09 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -50.71 -24.55 3.47 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.4 0.438 . . . . 0.0 110.725 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -78.2 -65.9 0.92 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.743 ' O ' ' N ' ' A' ' 127' ' ' GLU . . . -77.99 -177.85 5.22 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.425 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . 55.27 -63.95 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.743 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -72.69 60.19 0.49 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -63.53 179.16 0.49 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 116.982 -1.485 . . . . 0.0 109.759 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 64.48 178.46 0.18 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -71.76 179.81 2.97 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 70.51 77.75 0.19 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.14 -48.91 49.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.08 -40.93 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.257 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -51.43 26.2 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.47 -45.24 56.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.647 0.592 . . . . 0.0 110.87 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.78 96.38 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -30.59 68.31 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -38.17 89.1 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.3 -43.33 77.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.189 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.9 -40.57 46.88 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.99 -30.62 70.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.79 -67.43 0.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.08 -30.55 66.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.74 -24.82 76.63 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -40.64 25.56 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.684 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.06 -49.67 76.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.31 -45.81 83.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.475 0.71 . . . . 0.0 112.675 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.98 -64.28 0.89 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.775 0.321 . . . . 0.0 110.618 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -18.6 11.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.684 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.22 -48.1 13.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.85 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.87 -28.81 65.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.405 0.282 . . . . 0.0 111.41 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.17 -49.52 5.89 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.98 -47.11 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.06 96.78 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.56 -24.59 49.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.13 -138.3 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.03 101.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -177.04 -92.13 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 166.05 -37.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.39 -48.1 81.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.301 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.96 -52.32 66.0 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 122.051 0.14 . . . . 0.0 110.735 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -51.34 39.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.427 0.455 . . . . 0.0 110.666 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.6 -47.93 66.6 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 123.314 0.384 . . . . 0.0 109.975 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.51 -39.36 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.13 -42.31 99.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.85 61.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.05 0.844 . . . . 0.0 109.598 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -49.71 68.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.59 -35.52 76.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.49 -56.14 23.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.87 -47.77 4.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.382 1.051 . . . . 0.0 110.781 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.38 -46.16 69.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.817 0.28 . . . . 0.0 110.857 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -64.61 -43.36 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.98 66.57 2.84 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 101.757 -3.423 . . . . 0.0 101.757 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.63 -139.16 0.06 Allowed 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.95 -147.83 0.07 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 102.835 -3.024 . . . . 0.0 102.835 170.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -81.17 103.17 10.78 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 174.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -69.24 -40.2 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 64.75 -36.24 0.0 OUTLIER Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.683 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . 70.79 49.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 123.14 2.56 . . . . 0.0 112.226 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 142.18 -172.8 0.0 OUTLIER 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.528 1.531 . . . . 0.0 109.502 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -152.0 35.09 0.08 OUTLIER Pre-proline 0 N--CA 1.452 -0.328 0 O-C-N 123.804 0.69 . . . . 0.0 109.846 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.507 . . 51.73 -91.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.712 2.275 . . . . 0.0 110.803 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 83.51 0.39 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.051 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.15 59.61 0.06 OUTLIER Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 67.55 46.68 1.32 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -169.09 83.42 0.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 167.76 -81.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -83.83 -154.9 0.17 Allowed 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -159.95 83.02 0.72 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -57.24 -44.28 99.6 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -155.21 -93.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.039 2.492 . . . . 0.0 107.929 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -150.38 57.08 0.46 Allowed Glycine 0 C--N 1.337 0.612 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -62.87 -175.6 0.1 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 68.5 165.58 0.25 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -56.8 -41.44 77.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.76 ' O ' ' O ' ' A' ' 125' ' ' TYR . . . 171.39 55.82 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . -162.78 44.02 0.13 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.52 -44.93 69.54 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.14 124.13 49.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -100.51 -15.82 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 123.815 0.846 . . . . 0.0 109.7 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 74.15 98.27 0.07 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.917 0.487 . . . . 0.0 110.798 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 163.23 -137.77 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 124.242 0.964 . . . . 0.0 108.847 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -166.58 163.15 16.93 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.23 -42.05 6.27 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.239 0.472 . . . . 0.0 112.098 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.4 -62.29 1.46 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -52.09 -45.3 64.78 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.1 -50.19 71.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.99 -38.87 56.18 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.08 -66.15 0.45 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.96 -35.8 3.06 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 123.921 0.763 . . . . 0.0 111.224 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.67 -74.51 0.31 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.34 -46.26 12.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 124.249 0.617 . . . . 0.0 111.222 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.67 71.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.66 -47.79 70.04 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -62.14 -35.05 77.58 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.986 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.85 -49.73 65.2 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.7 -37.22 62.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.366 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.2 -64.38 4.06 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.35 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.04 67.44 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 123.207 0.432 . . . . 0.0 112.21 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.31 -32.24 72.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 117.556 0.678 . . . . 0.0 109.935 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.9 -46.02 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -72.25 -38.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.82 -54.97 41.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -66.84 -56.91 8.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.28 -49.86 60.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.509 0.324 . . . . 0.0 111.736 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -65.08 -51.59 60.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.47 12.95 0.1 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.28 102.68 0.67 Allowed Glycine 0 C--N 1.337 0.634 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 171.41 67.73 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.43 58.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 -32.68 35.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -71.14 -33.13 69.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.45 -66.32 0.56 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.75 62.63 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.029 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.1 -59.54 2.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.938 0.369 . . . . 0.0 111.585 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.55 -48.52 81.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 109.875 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.41 -22.6 66.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.0 -34.64 64.26 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.52 -43.9 96.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.35 -28.03 67.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 -55.34 16.52 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.12 -20.1 76.19 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.23 -60.34 2.28 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.0 -46.82 82.83 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.22 -59.47 4.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.89 -61.24 1.82 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 123.573 0.546 . . . . 0.0 111.831 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.0 -61.07 2.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -52.9 -56.96 12.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -47.88 -49.69 28.92 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.17 0.588 . . . . 0.0 111.909 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -58.17 -40.61 81.87 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.76 ' O ' ' O ' ' A' ' 70' ' ' ALA . . . -61.85 57.45 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.626 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . -176.91 -52.07 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.2 176.91 10.14 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.35 -58.96 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.022 -1.466 . . . . 0.0 109.79 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 55.92 58.82 4.13 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -161.67 -160.9 0.74 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -158.58 57.74 0.44 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.79 -32.03 46.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -65.73 -52.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.797 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.8 -50.73 40.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.77 -49.16 58.87 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 123.647 0.592 . . . . 0.0 111.026 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.59 88.93 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.3 -32.1 70.9 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.37 -39.33 94.24 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.19 99.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.833 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -63.31 -27.44 69.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.66 -39.46 67.1 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.17 -38.16 89.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.27 -64.22 1.02 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.4 -31.45 63.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.67 -75.2 0.29 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.53 -42.53 1.95 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 124.26 0.933 . . . . 0.0 114.67 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -61.69 -54.72 38.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.656 1.728 . . . . 0.0 108.823 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.5 -52.64 21.45 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.594 0.758 . . . . 0.0 113.009 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.91 -52.75 58.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.39 -26.25 66.36 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.048 0.451 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.435 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.16 -35.32 36.7 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.6 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.57 -59.04 3.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.238 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.78 97.12 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.139 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.46 -33.86 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 118.105 0.952 . . . . 0.0 108.957 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.97 64.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.56 -15.99 55.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.572 0.349 . . . . 0.0 110.202 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -140.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.421 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 178.17 60.45 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -143.33 -99.4 0.12 Allowed 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 123.919 0.762 . . . . 0.0 109.06 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 170.73 -37.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.93 -55.13 29.79 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.565 0.346 . . . . 0.0 111.761 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.73 65.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.303 0.241 . . . . 0.0 111.289 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.39 -55.51 12.75 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.447 0.467 . . . . 0.0 110.889 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.08 -52.34 44.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.246 0.341 . . . . 0.0 111.174 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.05 -37.09 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 120.58 0.228 . . . . 0.0 111.085 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.83 -44.35 93.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.57 -44.44 56.75 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.037 0.835 . . . . 0.0 109.453 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.42 -51.3 65.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.96 -32.44 72.87 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.15 -57.56 11.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.98 -42.37 1.36 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 125.104 1.502 . . . . 0.0 109.295 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.88 -45.98 82.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.738 -0.602 . . . . 0.0 111.079 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.3 -44.48 83.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.57 84.65 3.25 Favored 'General case' 0 CA--C 1.514 -0.406 1 N-CA-C 98.263 -4.717 . . . . 0.0 98.263 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.37 178.78 8.17 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -81.63 15.62 2.06 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 111.788 -2.46 . . . . 0.0 109.855 177.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 122.29 71.74 0.0 OUTLIER 'General case' 0 C--N 1.353 0.738 0 C-N-CA 127.146 2.178 . . . . 0.0 108.073 -177.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -81.89 -47.51 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 73.87 -43.36 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.317 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 54' ' ' LEU 2.509 . . 85.02 42.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.883 2.389 . . . . 0.0 111.998 178.251 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 140.92 -178.01 0.0 OUTLIER 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.837 1.655 . . . . 0.0 108.573 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -179.36 165.04 0.95 Allowed Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 58' ' ' GLY . . . 56.82 74.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 121.584 1.523 . . . . 0.0 108.647 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.89 6.29 0.09 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.795 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 56' ' ' PRO . . . 93.16 133.82 6.7 Favored Glycine 0 C--N 1.338 0.672 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -67.05 -110.88 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.927 0.363 . . . . 0.0 111.713 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 43.75 -105.65 0.08 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.533 0.733 . . . . 0.0 112.218 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 69.69 140.68 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.77 -101.26 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 64.07 76.75 0.34 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 69.48 -5.27 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.482 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.51 . . -67.27 -173.95 0.48 Allowed 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 121.947 1.765 . . . . 0.0 109.618 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.69 -32.92 0.63 Allowed Glycine 0 C--N 1.339 0.722 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -64.01 -178.28 0.32 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.5 ' C ' ' H ' ' A' ' 70' ' ' ALA . . . 59.25 171.32 0.07 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.636 0.374 . . . . 0.0 111.611 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -81.09 25.57 0.47 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 68' ' ' THR . . . 55.63 -90.52 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 48.51 26.24 1.13 Allowed 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.574 0.546 . . . . 0.0 111.758 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 74' ' ' ILE . . . 65.83 48.11 1.93 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 178.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 33.52 19.52 0.0 OUTLIER 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.498 1.119 . . . . 0.0 113.995 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.6 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . 51.52 85.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -130.75 139.61 50.26 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 164.62 -51.3 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 151.39 109.89 0.0 OUTLIER 'General case' 0 C--N 1.341 0.225 0 O-C-N 125.009 1.443 . . . . 0.0 108.618 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.55 -37.32 12.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.56 0.344 . . . . 0.0 111.815 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -64.91 -44.65 88.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -61.8 -45.12 95.21 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.57 -48.23 77.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -49.77 -41.14 34.95 Favored Glycine 0 C--N 1.339 0.701 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.96 -65.65 0.53 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.188 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.31 -36.07 0.31 Allowed 'General case' 0 C--N 1.342 0.271 0 O-C-N 125.084 1.49 . . . . 0.0 110.383 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.74 -72.19 0.64 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 106.259 -2.737 . . . . 0.0 106.259 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.6 -54.79 3.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 112.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.62 -53.54 45.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -38.86 74.31 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.86 -41.74 92.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.361 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.38 -57.25 13.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.282 0.233 . . . . 0.0 110.891 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.453 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -68.29 -32.18 72.14 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.72 -65.96 3.13 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.94 -39.42 96.48 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -25.3 62.07 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 117.775 0.787 . . . . 0.0 110.564 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.404 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -73.85 -39.53 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -68.47 -33.27 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.26 -46.01 68.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -77.49 -29.66 52.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.42 -49.2 67.54 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.75 -59.52 2.74 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.02 158.13 33.73 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.603 0.239 . . . . 0.0 110.431 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -52.09 90.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 176.42 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.37 -23.04 57.42 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.92 -69.53 0.3 Allowed 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.96 -10.89 15.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.437 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -77.99 -34.31 50.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.55 42.43 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 108.376 -1.889 . . . . 0.0 108.376 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.7 62.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.02 -50.33 62.44 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -71.01 -24.49 62.38 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -66.82 -45.29 78.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.33 -39.61 94.25 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.453 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -59.78 -40.66 89.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.22 -51.77 56.09 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.44 -69.42 1.25 Allowed Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.98 -67.45 0.28 Allowed 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.11 -68.08 0.36 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -50.49 -66.74 0.34 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.944 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 123' ' ' ASP . . . -47.3 -52.74 15.43 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 123.685 0.616 . . . . 0.0 111.323 -178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.496 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . -37.76 -63.05 0.49 Allowed 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 114.515 -2.659 . . . . 0.0 105.163 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.422 ' C ' ' H ' ' A' ' 124' ' ' ASP . . . -60.77 -70.5 0.18 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 127.73 3.144 . . . . 0.0 111.903 175.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . -71.77 77.35 0.86 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 102.88 -3.007 . . . . 0.0 102.88 173.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 122' ' ' HIS . . . -30.08 111.0 0.07 Allowed 'General case' 0 CA--C 1.483 -1.623 1 C-N-CA 133.087 4.555 . . . . 0.0 121.394 -156.478 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -80.12 -43.72 21.2 Favored 'General case' 0 N--CA 1.448 -0.528 1 CA-C-N 107.05 -4.613 . . . . 0.0 109.268 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -54.1 -31.29 51.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.308 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.19 76.07 0.47 Allowed 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.008 0.193 . . . . 0.0 110.639 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -79.29 -177.36 5.67 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.984 -1.484 . . . . 0.0 109.798 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -178.95 -58.4 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -72.06 -170.11 0.56 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 71.2 76.14 0.18 Allowed 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.41 -45.9 61.57 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.12 -39.16 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.88 -48.93 56.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.56 -44.45 69.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 123.476 0.485 . . . . 0.0 110.023 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.88 99.45 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.41 -29.26 68.86 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.57 -38.73 92.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.73 73.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -57.4 -27.37 62.3 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.45 -39.61 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.73 -27.85 67.95 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.35 -68.45 0.39 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.38 -31.74 67.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.75 71.84 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.36 -40.3 33.76 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.26 -51.36 69.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.56 -38.08 71.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.893 0.477 . . . . 0.0 110.721 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.97 -66.38 0.55 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.352 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -54.7 -22.71 14.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.927 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.683 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.21 -43.74 20.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.92 -32.82 65.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.81 4.73 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 108.546 -1.822 . . . . 0.0 108.546 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -59.44 -45.75 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -58.72 -41.07 85.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.177 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -71.13 -30.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -136.48 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -173.58 78.74 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.75 -160.23 0.95 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.72 -26.69 0.73 Allowed 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.928 0.767 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -61.6 -45.85 92.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.44 81.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.34 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.76 58.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.266 0.354 . . . . 0.0 110.972 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -55.24 -47.63 75.1 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.98 -42.66 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.57 -42.04 98.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 96' ' ' ILE . . . -50.99 -53.48 32.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.736 0.648 . . . . 0.0 110.523 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.32 -44.71 65.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.37 -48.25 82.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.58 -63.01 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.261 0.625 . . . . 0.0 112.005 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -49.43 -48.25 47.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.43 -52.16 42.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.44 -69.78 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.5 -40.93 98.36 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -175.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.86 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -70.22 -157.29 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.68 60.01 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 125.092 1.495 . . . . 0.0 111.898 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.86 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -155.12 -32.49 0.1 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -50.26 -58.52 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 123.083 0.553 . . . . 0.0 111.452 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.64 163.78 1.83 Allowed Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . 72.81 8.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.368 2.045 . . . . 0.0 111.447 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -56.32 -31.52 63.78 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.446 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -157.51 -153.14 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.345 0 O-C-N 123.136 0.273 . . . . 0.0 111.21 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.496 . . -67.68 -129.97 0.01 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.754 2.303 . . . . 0.0 112.167 -178.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.87 7.56 39.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.482 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.82 -55.82 0.02 OUTLIER Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.619 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.446 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 67.73 59.06 0.48 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 172.98 -73.83 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 71.72 -144.91 0.06 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.657 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -65.12 -157.76 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.452 0.301 . . . . 0.0 110.866 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -74.24 -82.1 0.06 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.289 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 68.34 61.61 0.68 Allowed Pre-proline 0 N--CA 1.449 -0.489 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.505 . . -58.71 178.94 0.21 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.394 2.062 . . . . 0.0 111.187 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.45 52.24 32.04 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 175.5 168.07 0.35 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 60.36 177.22 0.09 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.757 0.313 . . . . 0.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -58.52 -39.32 79.79 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.46 -77.87 0.06 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 169.89 -47.08 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 74' ' ' ILE . . . 63.0 163.09 0.1 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.144 0.497 . . . . 0.0 111.606 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.77 14.72 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.414 ' H ' ' C ' ' A' ' 72' ' ' ALA . . . -55.98 94.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -168.52 -156.0 0.16 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 73.74 -96.99 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 118.483 0.583 . . . . 0.0 109.441 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 79' ' ' ASP . . . -145.85 117.5 8.09 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 123.885 0.741 . . . . 0.0 112.307 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.8 -13.77 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.184 0.927 . . . . 0.0 108.759 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 77' ' ' ASN . . . -74.19 -43.13 58.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' ASN . . . -65.04 -49.89 68.34 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.96 -48.7 77.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.19 -39.41 42.32 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.55 -66.93 0.31 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.691 -0.671 . . . . 0.0 109.26 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.81 -34.92 0.29 Allowed 'General case' 0 C--N 1.343 0.311 0 O-C-N 124.526 1.141 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.2 -70.9 0.84 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 106.375 -2.69 . . . . 0.0 106.375 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.64 -52.34 8.27 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.373 0.69 . . . . 0.0 111.724 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.08 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.424 0.289 . . . . 0.0 110.823 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.92 -49.15 66.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.2 -33.63 72.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.365 0.266 . . . . 0.0 111.062 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.41 -53.81 53.91 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.725 0.693 . . . . 0.0 110.229 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -72.0 -35.23 69.41 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.706 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.88 -61.8 6.95 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.78 93.38 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.5 -29.78 66.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 117.791 0.796 . . . . 0.0 109.07 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -66.03 -44.7 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.428 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -63.94 -33.6 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.1 96.76 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -66.31 -36.32 82.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.84 63.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.35 -49.84 73.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -14.97 14.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.344 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.97 20.83 72.45 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -87.56 89.18 7.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.74 -29.69 67.75 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.5 -29.24 37.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -76.89 -29.49 55.8 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -67.92 -63.8 0.99 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -58.37 -30.66 65.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.96 -58.51 3.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.828 0.314 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.22 78.64 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.18 -25.79 67.88 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.579 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -71.82 -35.73 70.02 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.55 -43.63 98.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -64.05 -29.65 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.58 11.83 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.08 -19.47 70.05 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.85 -65.0 0.82 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.82 -49.1 77.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.953 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.68 -68.06 0.21 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.253 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.16 -29.52 22.53 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 123.131 0.269 . . . . 0.0 111.445 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -62.87 -48.92 76.92 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.37 -41.8 60.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.399 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -46.85 -49.88 19.44 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.288 0.635 . . . . 0.0 111.529 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -74.76 -52.07 12.47 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -80.0 66.01 5.34 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.017 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -179.6 -177.44 0.42 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 56.31 -165.94 0.13 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.37 -61.09 0.05 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.958 -1.496 . . . . 0.0 109.811 -179.93 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -55.91 -60.02 4.07 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 52.87 58.18 5.61 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.214 0.321 . . . . 0.0 110.498 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . -55.33 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.61 -51.32 28.95 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.57 -42.44 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.391 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -70.07 -51.46 31.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.38 -46.91 62.97 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 123.63 0.581 . . . . 0.0 110.9 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.91 97.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -29.85 67.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.47 -38.55 90.13 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.81 76.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.177 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.49 -28.54 65.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.67 -41.01 65.84 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -63.01 -34.46 77.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.23 -65.8 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.92 -38.34 70.13 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.55 -21.8 74.74 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.55 -40.26 27.89 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.36 -49.52 76.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.28 -53.21 37.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.4 0.68 . . . . 0.0 112.524 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.39 -57.03 14.5 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.855 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -22.3 59.79 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.596 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.31 -42.54 22.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.819 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.04 -36.87 64.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.613 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.35 -50.23 6.83 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -60.58 -33.66 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -64.07 -41.79 97.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -73.61 -26.49 60.82 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -143.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.164 0.186 . . . . 0.0 111.373 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -135.81 -61.12 0.72 Allowed 'General case' 0 C--N 1.34 0.192 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -48.93 174.93 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.072 0.549 . . . . 0.0 111.908 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.71 -4.78 11.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.967 0.907 . . . . 0.0 110.21 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -57.14 -48.18 79.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -62.26 -52.17 64.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.59 -53.91 21.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.84 0.456 . . . . 0.0 111.113 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.85 -45.37 70.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -34.45 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.0 -44.72 79.62 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.59 -45.66 66.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.015 0.822 . . . . 0.0 109.374 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.1 66.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.47 -36.26 81.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.51 -66.11 0.47 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.86 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -41.32 -40.92 1.8 Allowed 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 124.62 1.2 . . . . 0.0 110.214 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -55.5 -42.08 73.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.642 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.55 -45.55 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.522 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -70.47 -29.89 66.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.86 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -52.72 -62.67 1.5 Allowed 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.68 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.38 139.68 35.16 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -126.68 39.53 3.91 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 124.391 1.057 . . . . 0.0 110.319 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . 63.3 -150.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 101.441 -3.54 . . . . 0.0 101.441 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 62.64 28.88 0.05 OUTLIER Pre-proline 0 N--CA 1.448 -0.54 0 CA-C-N 121.482 1.946 . . . . 0.0 108.628 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -161.54 -27.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 121.951 1.767 . . . . 0.0 110.17 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -133.87 -19.97 2.01 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.847 0.859 . . . . 0.0 110.102 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -102.83 120.35 52.88 Favored Pre-proline 0 C--N 1.342 0.25 0 C-N-CA 123.508 0.723 . . . . 0.0 109.852 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.509 . . 158.43 -145.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.206 1.937 . . . . 0.0 109.926 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.94 101.13 0.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.32 42.17 2.09 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -158.58 -4.47 0.08 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.567 -0.254 . . . . 0.0 111.061 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 172.8 -131.15 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -54.04 123.0 11.32 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 172.57 -23.32 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.745 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 87.01 -148.45 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 124.227 0.955 . . . . 0.0 108.837 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 67.49 60.59 0.81 Allowed Pre-proline 0 N--CA 1.449 -0.497 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.515 . . 76.39 -114.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 122.049 1.833 . . . . 0.0 109.125 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -152.2 76.25 0.23 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 109.604 -1.399 . . . . 0.0 109.604 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -65.57 -171.15 0.08 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 85.59 127.71 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.131 0.973 . . . . 0.0 109.334 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . -53.71 -69.55 0.12 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -52.9 56.77 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 70.27 151.48 0.1 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 167.82 -170.19 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.316 0.579 . . . . 0.0 111.212 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.46 -1.09 4.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.854 -1.067 . . . . 0.0 110.691 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -75.02 19.29 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 118.826 -0.606 . . . . 0.0 111.825 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -128.67 74.33 1.56 Allowed 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.803 0.841 . . . . 0.0 108.903 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 174.44 14.42 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -164.78 58.49 0.13 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.13 -30.71 2.02 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.155 0.909 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.99 -53.75 34.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -58.9 -49.32 78.24 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.32 -55.72 25.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.37 -37.66 40.11 Favored Glycine 0 C--N 1.337 0.602 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.91 -65.31 0.59 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.45 -36.72 3.04 Favored 'General case' 0 C--O 1.226 -0.149 0 O-C-N 123.961 0.788 . . . . 0.0 111.183 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.26 -72.97 0.46 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -43.71 -46.3 7.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.631 0.842 . . . . 0.0 110.992 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.25 67.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.223 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.8 -52.25 42.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.44 -36.9 79.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.935 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.03 -52.95 37.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.999 0.428 . . . . 0.0 110.013 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.48 -34.46 63.11 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.417 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.19 -67.42 2.22 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.96 93.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.59 75.59 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.42 -45.0 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 122.933 0.493 . . . . 0.0 110.673 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -66.41 -35.17 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.42 22.35 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.372 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -71.59 -38.65 70.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.187 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.429 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -57.27 -56.01 27.35 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -54.33 -49.45 69.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.15 -18.26 50.23 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -111.08 -120.39 4.03 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -179.83 -162.38 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.26 -30.92 18.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.7 -75.33 0.08 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.69 0.281 . . . . 0.0 111.399 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.37 94.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.488 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -64.21 -47.48 79.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.281 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.36 -34.9 82.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.98 -58.68 3.78 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.187 0.518 . . . . 0.0 109.791 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.28 -37.16 74.46 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.58 -29.2 68.5 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.053 0.541 . . . . 0.0 111.606 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.91 -30.8 61.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.79 -49.45 70.64 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -59.73 -36.71 77.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.04 -86.35 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.79 -33.29 0.39 Allowed Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.579 0.609 . . . . 0.0 113.706 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -61.93 -61.5 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 117.798 0.799 . . . . 0.0 109.433 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -58.72 -40.9 85.08 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.38 -41.65 94.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.33 88.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.8 -44.58 86.43 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.91 -71.14 0.09 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.12 -21.21 12.22 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -60.19 -59.84 4.77 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -56.26 -81.14 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 174.42 60.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -68.5 174.48 4.11 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.44 178.03 0.17 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.014 -1.469 . . . . 0.0 109.796 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 68.06 60.37 0.42 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.648 ' C ' ' H ' ' A' ' 5' ' ' GLU . . . -73.37 -50.75 20.25 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -68.83 24.09 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.648 ' H ' ' C ' ' A' ' 3' ' ' THR . . . -76.18 -43.22 43.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.42 -41.08 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.11 -51.59 20.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.03 -45.52 61.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.558 0.537 . . . . 0.0 110.794 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.08 97.59 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.46 -28.58 67.12 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.93 -38.5 91.18 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.45 92.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.39 -26.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.82 -32.95 57.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -74.03 -27.86 61.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.34 -65.9 0.62 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -63.51 -28.41 69.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -32.74 62.55 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.85 -40.09 26.84 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.4 -53.32 59.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.35 -47.99 74.89 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.819 0.847 . . . . 0.0 113.285 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.73 -61.92 1.99 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.649 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -22.98 53.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.631 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -78.86 -47.64 16.17 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.298 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.45 -32.56 70.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.598 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.3 -54.29 3.83 Favored Glycine 0 C--N 1.336 0.554 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.19 -44.32 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -64.9 -35.01 79.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.611 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -78.59 -21.2 48.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.25 -136.78 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 179.18 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -176.19 -92.64 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 165.17 -35.69 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.61 -47.13 82.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.24 60.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.013 0.125 . . . . 0.0 110.734 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -52.47 34.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.367 0.417 . . . . 0.0 111.064 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.0 -46.33 61.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.371 0.419 . . . . 0.0 110.135 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -61.03 -35.67 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.56 -43.17 90.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.26 -41.56 60.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.011 0.819 . . . . 0.0 108.922 177.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.57 -52.22 65.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.98 -33.45 71.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -56.22 -63.48 1.17 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.45 -41.22 0.94 Allowed 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 125.205 1.565 . . . . 0.0 110.505 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.59 -45.75 88.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.104 -0.373 . . . . 0.0 110.488 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -69.04 -52.41 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -73.71 67.78 1.19 Allowed 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 100.593 -3.855 . . . . 0.0 100.593 176.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -84.17 139.03 32.68 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 -175.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -80.06 58.59 3.0 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -169.28 -16.89 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -64.79 -106.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 120.664 1.575 . . . . 0.0 111.086 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 70.27 -54.57 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.325 0 O-C-N 123.384 0.427 . . . . 0.0 111.397 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.502 . . -66.16 -82.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 123.769 2.979 . . . . 0.0 111.669 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . 68.67 43.4 1.31 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 152.49 -100.29 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.283 0 O-C-N 125.709 1.88 . . . . 0.0 109.619 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' O ' ' N ' ' A' ' 58' ' ' GLY 2.519 . . 57.23 -163.62 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.872 1.715 . . . . 0.0 107.796 -178.399 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 72.45 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -142.15 -36.28 0.09 OUTLIER Glycine 0 C--N 1.338 0.651 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -167.08 -70.38 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.434 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -70.96 -174.14 0.9 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 52.57 50.14 18.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.587 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.66 -53.72 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 170.51 -79.64 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 71.87 -103.31 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.49 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.511 . . 65.54 173.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 121.968 1.778 . . . . 0.0 110.092 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.4 -164.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.676 0 O-C-N 123.613 0.571 . . . . 0.0 113.178 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 50.34 -169.46 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.981 0.513 . . . . 0.0 112.247 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -74.73 126.92 31.9 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.335 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 174.27 167.51 0.23 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 172.36 -159.37 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 72' ' ' ALA . . . 71.67 48.95 0.29 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.611 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 71' ' ' LYS . . . 104.67 -136.29 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.226 0 O-C-N 125.18 1.55 . . . . 0.0 109.11 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.423 ' CB ' ' CB ' ' A' ' 76' ' ' ALA . . . -148.25 90.85 1.85 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . -21.42 -80.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -76.14 -10.4 59.38 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.423 ' CB ' ' CB ' ' A' ' 73' ' ' ALA . . . -59.17 -77.59 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -101.68 51.34 0.84 Allowed 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 124.05 0.844 . . . . 0.0 110.627 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.4 -41.55 13.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 123.576 0.548 . . . . 0.0 112.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.94 -55.25 31.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.27 -42.55 70.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.274 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.65 -51.51 68.43 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.09 -38.37 47.68 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.91 -64.74 0.73 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.29 -35.8 2.48 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 124.075 0.859 . . . . 0.0 111.227 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -69.88 1.11 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 107.293 -2.323 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.31 -46.01 17.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.724 0.896 . . . . 0.0 110.472 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.11 -53.51 49.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.131 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.94 -45.53 74.87 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.63 -43.21 89.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.391 0.432 . . . . 0.0 110.439 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.16 -46.04 53.81 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 123.808 0.693 . . . . 0.0 109.719 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -32.46 62.72 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.064 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.51 -66.23 2.99 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.896 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.24 -38.01 93.42 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.29 87.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 117.112 0.456 . . . . 0.0 110.048 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.31 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.43 -36.29 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.98 21.14 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.12 -48.35 52.64 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.683 0.278 . . . . 0.0 111.113 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.47 57.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.72 -21.31 18.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.7 -100.87 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.99 -62.96 1.93 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.428 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.38 -151.03 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 117.43 0.615 . . . . 0.0 111.54 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.1 -20.88 1.52 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.165 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -73.62 0.11 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.964 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.83 75.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -58.46 -51.58 69.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.05 -41.28 94.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.13 -64.02 1.06 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.58 90.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.252 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.05 -17.69 64.85 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.333 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.93 -32.71 40.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.27 -42.84 92.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.444 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.91 -30.22 66.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.71 -54.37 31.78 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.77 -20.55 76.16 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.33 -63.62 1.24 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.77 -42.63 81.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.264 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.67 -61.13 2.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.156 0.182 . . . . 0.0 110.98 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.99 66.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.032 0.207 . . . . 0.0 110.515 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.18 -44.42 67.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -76.64 -56.53 4.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.109 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -54.22 -28.02 38.29 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.266 0.226 . . . . 0.0 110.814 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.25 -49.54 14.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -60.39 -94.54 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 173.98 56.8 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -76.21 173.4 11.4 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 56.62 60.9 2.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.737 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -64.26 -179.13 0.42 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 173.35 42.78 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.245 0.341 . . . . 0.0 110.406 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -158.47 56.58 0.45 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.97 -49.08 40.36 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.59 -31.3 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.23 -52.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.92 -43.17 49.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.691 0.619 . . . . 0.0 110.803 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.6 89.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.31 -30.42 68.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.48 -36.98 84.2 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.76 73.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.35 -25.8 66.11 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.81 -42.51 33.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.67 -27.44 66.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.39 -67.02 0.48 Allowed 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.83 -28.42 67.46 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.81 -35.98 73.81 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.1 -40.33 83.17 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.72 -53.21 60.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.84 -48.83 63.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.52 -59.98 3.68 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.37 26.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.848 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -77.98 -47.27 18.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.628 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -66.27 -36.61 83.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.87 -49.38 7.77 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.84 -52.62 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.07 84.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.685 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.01 -19.0 48.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.655 0.207 . . . . 0.0 110.558 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -140.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.5 106.16 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 173.7 -89.85 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 167.24 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.16 -44.85 90.82 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.71 -53.57 56.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.79 -48.81 40.93 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.612 0.57 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.94 -47.1 68.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -54.75 -40.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.78 -41.76 98.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.99 -45.92 61.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.835 0.709 . . . . 0.0 110.219 177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.5 -54.84 41.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.95 -34.86 72.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.07 -62.31 1.74 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.56 -42.77 1.2 Allowed 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 125.219 1.575 . . . . 0.0 110.827 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.6 -45.21 89.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.807 -0.558 . . . . 0.0 110.343 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.65 -42.36 83.2 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 123.006 0.522 . . . . 0.0 111.373 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.31 68.73 3.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 101.476 -3.527 . . . . 0.0 101.476 172.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.54 -135.18 0.05 Allowed 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.85 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.46 -151.24 0.09 Allowed 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 169.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -92.88 139.1 30.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -76.06 57.34 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.11 -32.61 0.03 OUTLIER Pre-proline 0 N--CA 1.453 -0.303 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -62.29 -19.31 66.56 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 122.25 1.967 . . . . 0.0 109.457 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -88.0 -40.96 13.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -158.18 76.89 3.55 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.49 . . -73.25 -19.39 22.51 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.533 2.155 . . . . 0.0 109.505 177.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.31 114.31 0.9 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.79 127.67 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 112.296 -0.322 . . . . 0.0 112.296 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.447 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 166.83 64.57 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.154 0.581 . . . . 0.0 109.628 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -158.72 154.11 25.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 71' ' ' LYS . . . 167.48 168.0 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.412 -1.28 . . . . 0.0 107.929 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.401 ' CB ' ' H ' ' A' ' 72' ' ' ALA . . . -153.99 168.41 26.52 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 119.594 1.088 . . . . 0.0 110.646 -178.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -176.68 19.89 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.515 0.509 . . . . 0.0 111.243 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 37.37 -150.77 0.0 OUTLIER Pre-proline 0 C--N 1.34 0.166 0 O-C-N 124.449 1.093 . . . . 0.0 113.117 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 48.79 26.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.32 2.68 . . . . 0.0 111.925 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.75 172.56 35.61 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -55.48 -60.51 3.32 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 63.27 168.79 0.14 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.702 0.401 . . . . 0.0 111.171 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -160.57 -67.05 0.07 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.37 -65.15 0.96 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 61' ' ' SER . . . 58.41 -174.47 0.09 Allowed 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.348 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' CB ' ' A' ' 73' ' ' ALA . . . -100.59 131.5 46.46 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . 149.73 -80.6 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 54.84 -76.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.432 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.559 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 173.98 -94.62 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 118.027 0.376 . . . . 0.0 110.864 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' CB ' ' CB ' ' A' ' 80' ' ' ASP . . . -76.89 -59.31 2.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 169.14 -169.18 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.84 -33.35 4.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 124.104 0.877 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.47 -60.1 2.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.656 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.443 ' CB ' ' CB ' ' A' ' 76' ' ' ALA . . . -53.61 -45.41 70.07 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.19 -44.83 79.8 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.95 -38.54 85.46 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.769 -1.733 . . . . 0.0 108.769 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.11 -64.62 0.77 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.715 0.258 . . . . 0.0 110.389 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -50.91 -38.5 50.33 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -63.92 3.88 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 106.83 -2.508 . . . . 0.0 106.83 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.67 -40.44 39.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.749 -0.725 . . . . 0.0 109.72 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.11 -53.49 55.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.156 0.503 . . . . 0.0 111.153 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.59 -39.43 73.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.29 -41.96 85.54 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -51.31 -36.97 45.06 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.225 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.429 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -75.8 -36.75 59.63 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.201 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.22 -66.49 2.59 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.012 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.04 -35.92 84.89 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -54.64 -45.78 73.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 117.107 0.454 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.81 -41.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.15 -50.48 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.94 88.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.949 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.94 -41.63 83.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.459 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -46.0 81.92 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.56 -46.53 70.28 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -106.56 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.47 -157.2 27.93 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 66.5 140.68 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.11 -7.63 88.35 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.71 -61.74 1.65 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.44 83.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -70.37 -20.94 62.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.85 -51.42 4.8 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.2 86.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.17 21.47 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.165 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.51 -24.97 65.73 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.57 -36.24 44.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.41 -45.42 80.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -69.73 -28.46 65.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.571 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.21 67.25 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.51 -25.8 67.04 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.96 -54.11 17.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.59 -49.04 70.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.65 -55.01 34.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.36 -41.28 60.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.358 0.411 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.54 -52.55 61.7 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -64.25 -43.66 94.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.22 -35.74 65.24 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -72.31 -36.74 68.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -54.24 -61.73 2.11 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -167.88 -59.58 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 68.39 -55.52 0.52 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.45 178.17 8.86 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.946 -1.502 . . . . 0.0 109.813 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -63.13 -59.28 4.99 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 54.39 51.92 13.37 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.185 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.85 97.89 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.22 -53.34 14.74 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.76 -39.26 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.89 -48.32 54.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.29 -45.99 62.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 123.674 0.609 . . . . 0.0 110.721 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.79 98.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.35 -32.31 69.99 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.37 -38.48 87.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -43.43 82.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.015 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.18 -24.99 65.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.32 -37.37 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -28.5 65.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.23 -67.34 0.47 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.49 -32.17 70.02 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.29 -23.05 78.18 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.26 22.43 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.02 -49.56 76.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.04 -45.47 79.18 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.58 0.752 . . . . 0.0 112.193 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.46 -61.43 2.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -20.81 18.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.504 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.422 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.46 -41.81 23.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.971 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.29 -33.44 61.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.0 -47.21 8.65 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 107.187 -2.365 . . . . 0.0 107.187 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.48 -37.56 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -58.71 -41.71 86.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.12 -73.81 0.23 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.2 62.1 4.05 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.166 0.586 . . . . 0.0 110.394 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -71.28 -175.66 1.29 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 175.22 -62.81 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 168.79 -48.78 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.58 -48.51 79.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.568 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.52 -54.02 51.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.05 0.14 . . . . 0.0 111.042 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.95 24.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.388 0.43 . . . . 0.0 111.338 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.35 -46.98 69.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.029 0.205 . . . . 0.0 110.658 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -38.17 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.628 0.251 . . . . 0.0 110.979 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.55 -44.27 82.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -52.98 -46.03 68.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 123.872 0.732 . . . . 0.0 109.91 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.43 71.05 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.65 -39.66 89.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -52.97 -67.19 0.27 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.291 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.9 -42.54 3.73 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 124.272 0.982 . . . . 0.0 111.816 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.0 -40.75 77.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -73.31 -45.74 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.96 -61.46 2.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.287 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.7 7.87 11.38 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.94 0.496 . . . . 0.0 111.264 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -52.25 -73.16 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 125.19 77.56 0.0 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 126.225 1.81 . . . . 0.0 107.237 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -53.65 -55.42 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.859 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.18 83.81 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.513 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.509 . . -176.43 9.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 121.317 1.345 . . . . 0.0 111.514 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -151.63 1.99 0.38 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.346 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -106.42 93.43 8.29 Favored Pre-proline 0 C--N 1.342 0.257 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -163.97 -147.31 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.437 1.425 . . . . 0.0 111.038 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.16 102.06 0.27 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.22 10.91 0.08 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 175.26 -77.72 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 117.315 0.558 . . . . 0.0 109.933 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 64.05 72.82 0.45 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.435 ' CB ' ' CB ' ' A' ' 73' ' ' ALA . . . -70.5 -51.7 27.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -55.77 -35.76 66.59 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -53.13 -70.35 0.09 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.376 0.423 . . . . 0.0 110.02 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -145.95 176.53 2.16 Favored Pre-proline 0 N--CA 1.454 -0.268 0 O-C-N 123.722 0.639 . . . . 0.0 109.371 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.501 . . -59.5 135.95 68.15 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.826 1.684 . . . . 0.0 110.037 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.49 176.19 47.93 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -73.21 -95.31 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 46.56 -157.34 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.749 0.655 . . . . 0.0 111.598 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -161.06 -43.47 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 172.15 38.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -83.54 -62.07 1.67 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.084 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.31 -24.64 12.22 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.046 0.938 . . . . 0.0 108.478 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.769 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -53.97 -65.99 0.47 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -3.75 44.15 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.769 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -56.67 149.38 17.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 75' ' ' TRP . . . 143.04 61.88 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 -176.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 49.56 96.19 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -50.64 -39.3 50.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.491 0.316 . . . . 0.0 110.359 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -58.96 -50.39 74.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -55.59 -37.78 68.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.413 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.15 -50.72 70.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.07 -38.96 48.67 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.04 -66.88 0.32 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 119.093 -0.48 . . . . 0.0 109.794 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -42.34 -36.24 1.21 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.248 0.968 . . . . 0.0 111.244 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.82 -72.04 0.62 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.03 -48.34 11.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.368 0.687 . . . . 0.0 111.426 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.16 -50.49 61.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.509 0.324 . . . . 0.0 110.604 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.21 -42.13 76.7 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.65 -42.04 91.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.192 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.73 -47.6 59.23 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.248 0.546 . . . . 0.0 109.601 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -71.06 -35.47 71.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.465 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.61 -67.84 2.0 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.889 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.78 -37.82 92.62 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.14 -35.29 79.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 117.496 0.648 . . . . 0.0 110.348 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.53 -44.07 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -60.99 -37.91 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.95 -50.3 73.04 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.81 71.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.407 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -58.58 -52.46 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.32 -53.34 24.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.69 -23.19 16.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.73 16.3 80.26 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.406 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -81.69 87.32 6.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.05 -29.68 56.13 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.41 37.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' CB ' ' CB ' ' A' ' 103' ' ' ASP . . . -75.51 -40.55 56.92 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.757 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -77.96 -25.73 48.36 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.61 -46.76 11.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.11 71.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.36 60.43 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.91 -28.32 69.44 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.055 0.389 . . . . 0.0 111.152 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.42 -32.08 64.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.14 -42.64 98.91 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.402 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -72.2 -26.77 62.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.1 -56.05 18.18 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -75.08 -19.37 79.89 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.62 -64.75 0.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.16 -48.12 83.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.45 -49.46 72.42 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -55.04 -39.0 68.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.69 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.79 -54.82 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.143 0.177 . . . . 0.0 111.214 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.11 -56.41 8.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -49.2 -27.64 3.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.87 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 126' ' ' ARG . . . -80.27 -73.11 0.38 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -80.08 33.56 0.28 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.424 ' H ' ' C ' ' A' ' 124' ' ' ASP . . . 171.98 64.25 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -67.12 -63.73 1.0 Allowed 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.7 58.69 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 117.028 -1.463 . . . . 0.0 109.754 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -74.7 -44.5 49.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -54.96 -52.28 63.54 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.322 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -169.72 76.16 0.09 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.25 -54.78 15.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.4 -35.77 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.262 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.22 -51.2 32.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.29 -46.58 46.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 123.787 0.679 . . . . 0.0 111.131 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.79 96.06 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.89 -30.14 67.54 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.04 -38.62 91.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.51 78.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.233 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.45 -26.1 66.5 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.22 -39.46 48.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.12 -29.75 68.74 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.87 -67.24 0.47 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.1 -31.65 69.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -21.94 78.76 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.4 -40.69 18.55 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.536 -1.825 . . . . 0.0 108.536 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.749 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.62 -47.53 84.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.39 -46.87 82.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.433 0.693 . . . . 0.0 112.483 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.73 -64.83 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 110.786 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.78 -20.21 14.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.749 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.24 -43.28 21.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.771 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.26 -33.46 67.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.142 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.18 -47.19 11.37 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.061 -2.016 . . . . 0.0 108.061 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.26 -36.76 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.76 91.09 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.146 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.93 -74.31 0.23 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.38 61.76 6.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 122.909 0.483 . . . . 0.0 110.112 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -73.41 -175.93 2.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.605 0.24 . . . . 0.0 110.484 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 172.98 -60.16 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 169.26 -49.36 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.553 0.533 . . . . 0.0 109.701 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.78 -48.0 76.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.718 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.61 31.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 122.036 0.135 . . . . 0.0 111.278 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.98 -53.13 35.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.575 0.35 . . . . 0.0 111.235 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.61 -46.93 67.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.044 0.215 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -64.36 -33.17 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.522 0.201 . . . . 0.0 110.781 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.68 -46.57 62.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.48 -43.37 75.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.818 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.72 78.04 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.37 -41.1 88.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.63 -64.22 0.89 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.28 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -48.59 -40.47 27.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -74.07 -47.55 35.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.456 0.571 . . . . 0.0 111.954 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.3 -66.22 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.49 -38.54 91.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.979 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -70.62 137.43 49.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.16 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -34.18 62.22 0.0 OUTLIER 'General case' 0 C--N 1.345 0.389 0 CA-C-O 125.466 2.555 . . . . 0.0 113.937 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.979 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -125.02 -28.68 3.42 Favored 'General case' 0 N--CA 1.442 -0.851 1 CA-C-N 106.125 -5.034 . . . . 0.0 104.066 171.46 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.705 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -90.07 -41.49 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 123.361 0.665 . . . . 0.0 110.177 177.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.37 69.21 0.0 OUTLIER Pre-proline 0 N--CA 1.451 -0.386 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.705 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.522 . . -169.64 25.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.706 2.271 . . . . 0.0 109.707 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -108.81 -51.01 2.94 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -71.51 -170.56 0.15 Allowed Pre-proline 0 N--CA 1.448 -0.537 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . 70.96 142.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.447 2.098 . . . . 0.0 108.039 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 44.12 34.46 0.98 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.745 0.418 . . . . 0.0 111.677 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.16 -145.35 17.8 Favored Glycine 0 C--N 1.34 0.755 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.431 ' CB ' ' CB ' ' A' ' 62' ' ' THR . . . -77.29 -56.41 4.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 70.0 100.64 0.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.613 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.418 ' CB ' ' CB ' ' A' ' 76' ' ' ALA . . . 56.34 20.45 4.67 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.551 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.431 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -80.16 136.68 36.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 173.87 -149.36 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.175 0.297 . . . . 0.0 110.263 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -142.06 -72.76 0.02 OUTLIER Pre-proline 0 N--CA 1.453 -0.29 0 O-C-N 124.066 0.854 . . . . 0.0 109.193 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.507 . . 161.57 10.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 121.872 1.715 . . . . 0.0 110.917 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.95 24.88 0.05 OUTLIER Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -76.98 172.8 12.6 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -159.97 151.7 20.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.55 0.214 . . . . 0.0 110.74 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 174.3 -79.32 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 171.63 76.01 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -164.04 -25.77 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 119.485 -0.293 . . . . 0.0 111.264 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 69.54 126.81 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.291 0.567 . . . . 0.0 112.208 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.06 -25.67 0.36 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.134 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 64.14 -149.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -154.8 29.9 0.42 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.418 ' CB ' ' CB ' ' A' ' 61' ' ' SER . . . 51.85 24.71 2.64 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.713 -178.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -85.3 68.76 10.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.068 0.547 . . . . 0.0 111.218 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.28 -44.14 16.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.736 0.648 . . . . 0.0 112.259 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.44 -63.48 1.06 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -51.48 -46.74 63.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.63 -45.66 77.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.84 -39.55 77.96 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.5 -65.63 0.53 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.318 -0.373 . . . . 0.0 110.252 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.27 -35.75 8.23 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 123.893 0.746 . . . . 0.0 109.984 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.02 -65.52 3.18 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 106.57 -2.612 . . . . 0.0 106.57 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.89 -44.38 39.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.39 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.2 -52.74 50.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.2 -39.85 73.07 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.99 -41.62 83.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.62 -38.54 55.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.434 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -73.58 -36.54 65.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.36 -66.51 2.75 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 113.863 -1.517 . . . . 0.0 109.832 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.31 -39.31 96.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.79 72.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 117.252 0.526 . . . . 0.0 110.495 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -64.09 -40.36 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -55.24 -50.94 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.43 73.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.017 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.24 68.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.62 -48.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.93 -38.63 57.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.417 0.448 . . . . 0.0 110.272 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.12 -104.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.17 -53.56 0.24 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.88 129.33 3.48 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.28 -4.94 89.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.19 -44.29 18.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.05 -32.51 63.34 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.104 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.78 -62.47 1.85 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.94 93.07 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.19 -58.84 4.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.6 74.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.74 -22.17 66.06 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.619 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.68 -34.08 40.59 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.22 -42.39 95.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.434 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -68.97 -28.64 66.81 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.25 87.03 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.09 -23.62 61.06 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -66.54 -54.86 19.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.27 -46.8 79.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.81 -47.21 80.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.74 80.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.76 -47.15 74.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.406 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.88 -58.92 2.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.798 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -51.67 -30.88 23.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.509 0.323 . . . . 0.0 110.83 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.509 ' C ' ' H ' ' A' ' 126' ' ' ARG . . . -77.62 -65.62 0.94 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -76.06 38.35 0.17 Allowed 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 124' ' ' ASP . . . -78.23 -172.92 3.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -160.33 169.28 23.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 174.98 -178.41 0.11 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.023 -1.465 . . . . 0.0 109.811 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -178.12 179.81 0.8 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 69.92 74.15 0.22 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -159.78 59.34 0.37 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.26 -40.93 58.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.96 -42.67 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.465 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.67 -52.92 17.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.58 -45.64 48.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.658 0.599 . . . . 0.0 111.003 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.18 95.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -28.41 66.77 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.71 -38.35 90.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.44 78.0 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.17 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.7 -26.64 68.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.03 -40.5 53.32 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.93 -26.07 64.9 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -67.37 -69.07 0.33 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.45 -28.63 68.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.42 -21.96 79.08 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.3 -39.77 18.0 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.034 -2.026 . . . . 0.0 108.034 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.53 -48.17 81.74 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.23 -43.76 92.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.381 0.673 . . . . 0.0 112.176 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.54 -61.11 2.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.75 -21.44 41.29 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.541 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.42 -43.86 20.27 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.43 -32.78 71.96 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.595 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.18 -47.42 7.01 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.397 -1.881 . . . . 0.0 108.397 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.27 -39.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.77 97.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.376 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -35.04 79.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.48 -125.33 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -121.64 -103.65 0.39 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 172.13 98.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -157.26 -105.56 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -67.32 -49.45 64.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.99 62.1 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.11 0.164 . . . . 0.0 111.045 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.11 -49.97 62.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.17 0.294 . . . . 0.0 110.631 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.77 -44.16 69.8 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.096 0.248 . . . . 0.0 110.392 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.51 -32.14 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.819 -0.173 . . . . 0.0 110.739 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -71.58 -46.53 59.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.92 -40.35 69.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.703 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.98 74.15 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.4 -43.52 92.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.46 -58.39 7.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.03 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.818 ' O ' ' CB ' ' A' ' 48' ' ' ALA . . . -51.2 -39.13 55.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -78.46 -50.28 11.94 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -75.66 -63.15 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -54.77 -24.76 24.02 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.045 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.818 ' CB ' ' O ' ' A' ' 44' ' ' GLU . . . -42.38 138.57 1.71 Allowed 'General case' 0 C--N 1.341 0.208 0 C-N-CA 123.692 0.797 . . . . 0.0 112.438 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.34 118.38 0.81 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . 172.97 11.94 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.875 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -62.71 -53.67 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 117.901 0.318 . . . . 0.0 111.095 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' A' ' 54' ' ' LEU . . . -60.49 -42.49 88.82 Favored Pre-proline 0 N--CA 1.449 -0.52 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.505 . . -64.59 4.66 0.57 Allowed 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 121.986 1.791 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 52' ' ' ALA . . . -52.29 -47.9 65.64 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 119.137 -0.459 . . . . 0.0 110.929 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' ALA . . . 165.23 154.42 0.07 OUTLIER Pre-proline 0 C--N 1.34 0.161 0 O-C-N 123.524 0.515 . . . . 0.0 111.214 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -71.56 64.92 2.99 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 N-CA-C 106.371 -2.203 . . . . 0.0 106.371 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' PHE . . . 66.3 176.99 0.22 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.225 -177.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.21 -24.54 1.57 Allowed Glycine 0 C--N 1.336 0.549 0 N-CA-C 108.704 -1.758 . . . . 0.0 108.704 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -147.52 42.13 1.07 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 168.48 176.01 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 54.07 21.52 3.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 171.29 179.99 0.06 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 178.26 -159.37 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -155.51 -59.72 0.02 OUTLIER Pre-proline 0 N--CA 1.45 -0.432 0 O-C-N 123.558 0.536 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 178.97 -31.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 121.483 1.455 . . . . 0.0 110.359 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.51 100.87 0.2 Allowed Glycine 0 C--N 1.338 0.643 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -158.64 177.89 10.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 70.9 -77.75 0.05 Allowed 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 174.29 -55.42 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -177.72 47.79 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -166.54 31.65 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.41 -26.71 61.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.679 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . -54.77 -17.42 3.48 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.543 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -63.08 23.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.204 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.679 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -127.89 82.54 2.09 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.843 0.857 . . . . 0.0 109.512 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 177.88 -46.65 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -100.14 50.48 0.9 Allowed 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 124.144 0.903 . . . . 0.0 109.078 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.41 -34.73 2.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 123.985 0.803 . . . . 0.0 111.804 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.96 -54.08 21.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -56.14 -49.72 73.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.94 -48.63 75.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.54 -39.3 59.98 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -66.18 0.43 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 119.17 -0.443 . . . . 0.0 109.997 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.8 -35.25 1.83 Allowed 'General case' 0 C--N 1.34 0.192 0 O-C-N 124.179 0.924 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.48 1.63 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.4 -47.08 37.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.958 -0.621 . . . . 0.0 110.959 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.37 50.42 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.335 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.86 -37.86 71.9 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.667 0.604 . . . . 0.0 110.652 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.17 -43.51 61.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.53 0.681 . . . . 0.0 109.422 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.06 -33.86 63.83 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.587 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.53 -64.81 4.03 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.262 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.66 -36.52 87.92 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.48 -38.01 71.14 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.546 0.673 . . . . 0.0 110.161 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.51 -41.95 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -55.74 -50.82 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.57 64.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.627 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.27 66.96 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.35 -50.94 70.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -73.54 -51.24 17.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.39 -27.29 46.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.01 78.76 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -84.55 85.52 7.41 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -26.36 56.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.76 -31.57 35.83 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.79 -36.51 62.5 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.181 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.72 40.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 122.756 0.423 . . . . 0.0 110.389 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.21 12.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.09 -57.02 9.68 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.469 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.42 -26.59 66.82 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.93 -33.13 59.85 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -58.53 -42.37 87.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.68 -26.78 57.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.24 -57.6 14.75 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.93 -17.62 76.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.85 -55.66 12.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.22 -45.06 86.25 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.78 -46.76 84.13 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.77 74.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.74 -50.38 72.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.06 -61.62 1.84 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -50.75 -24.69 3.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 123.49 0.494 . . . . 0.0 110.809 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -74.29 -70.34 0.4 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -68.36 -58.04 4.97 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -69.28 -160.06 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -161.4 62.52 0.27 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 63.88 -179.38 0.16 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.012 -1.471 . . . . 0.0 109.675 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.49 -59.46 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -161.96 -179.9 7.51 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 172.86 -83.33 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.29 -37.12 45.59 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.49 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.5 -47.82 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.707 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' CB ' ' CB ' ' A' ' 70' ' ' ALA . . . -70.38 -50.29 40.36 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.12 -49.11 61.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.504 0.502 . . . . 0.0 111.19 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.15 -32.02 70.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.73 -38.88 92.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.52 92.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.064 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.15 -29.15 67.21 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -71.27 -38.49 71.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.49 -38.52 91.32 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.62 -64.69 0.85 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.29 -34.93 64.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.57 -72.17 0.63 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.71 -43.4 2.3 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 124.48 1.038 . . . . 0.0 114.142 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -59.25 -53.04 62.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 118.953 1.376 . . . . 0.0 108.078 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.75 -49.28 65.8 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.083 0.553 . . . . 0.0 111.922 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.13 -60.21 3.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.521 0.328 . . . . 0.0 111.218 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -20.78 22.86 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.16 -47.12 15.22 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.711 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.85 -30.18 66.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.243 0.217 . . . . 0.0 111.514 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -50.47 5.45 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.54 -46.95 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.75 92.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.65 -21.48 52.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -140.79 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.62 65.27 0.31 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -158.21 -157.9 0.67 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.87 -22.07 0.79 Allowed 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.922 0.764 . . . . 0.0 110.073 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.61 -47.14 85.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.99 75.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -50.23 56.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.342 0.401 . . . . 0.0 110.576 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.77 -46.25 67.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.25 -35.0 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.86 -44.34 85.71 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.33 -44.95 62.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.124 0.89 . . . . 0.0 109.11 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.31 -49.37 67.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.22 -34.87 77.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.94 -56.74 16.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -43.42 -45.29 6.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.324 1.015 . . . . 0.0 110.034 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -55.87 -48.55 75.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.556 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.91 -45.8 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.66 67.26 4.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 101.767 -3.42 . . . . 0.0 101.767 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.53 -133.27 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -82.02 -145.65 0.06 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 102.795 -3.039 . . . . 0.0 102.795 171.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -81.42 111.18 17.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 174.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -52.35 -41.27 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 122.49 0.316 . . . . 0.0 111.416 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.23 164.65 0.45 Allowed Pre-proline 0 N--CA 1.452 -0.371 0 O-C-N 123.522 0.514 . . . . 0.0 110.602 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . 82.03 19.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.71 2.94 . . . . 0.0 111.799 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -122.04 -15.91 7.66 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.41 1.084 . . . . 0.0 108.99 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -99.73 -151.93 0.01 OUTLIER Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 123.711 0.805 . . . . 0.0 108.856 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.72 ' O ' ' N ' ' A' ' 58' ' ' GLY 2.51 . . 83.49 -138.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.67 2.247 . . . . 0.0 111.375 178.775 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.68 65.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.584 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -97.83 -143.78 15.61 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -85.08 -61.18 1.83 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 71.42 116.64 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.798 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 51.71 41.54 29.1 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.792 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 55.8 84.29 0.08 Allowed 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -83.28 17.47 2.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 123.3 0.375 . . . . 0.0 111.157 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -161.6 67.71 2.25 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.515 . . 75.67 -89.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 121.915 1.743 . . . . 0.0 108.558 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -152.26 64.31 0.37 Allowed Glycine 0 C--N 1.336 0.573 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -59.34 -178.57 0.06 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.676 0.274 . . . . 0.0 110.851 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -81.88 -146.19 0.06 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.895 0.478 . . . . 0.0 110.209 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -76.66 124.87 28.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.398 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . 170.58 55.71 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -81.74 109.09 15.82 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.08 -42.48 19.13 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.65 97.61 7.78 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -152.65 109.66 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 O-C-N 123.767 0.667 . . . . 0.0 112.155 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 82.98 -150.61 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.17 0.919 . . . . 0.0 111.505 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' CB ' ' CB ' ' A' ' 80' ' ' ASP . . . -77.45 178.4 7.23 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -51.83 167.58 0.11 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 122.529 0.332 . . . . 0.0 111.814 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.73 -31.03 2.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 124.145 0.903 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.78 -61.99 1.68 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.57 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' CB ' ' CB ' ' A' ' 76' ' ' ALA . . . -55.54 -42.62 74.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.51 -49.5 72.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.14 -37.89 55.27 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.82 -66.71 0.35 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 119.097 -0.478 . . . . 0.0 109.994 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.47 -34.55 1.36 Allowed 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.932 0.77 . . . . 0.0 110.845 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.81 -70.1 1.06 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 106.723 -2.551 . . . . 0.0 106.723 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.06 -48.66 16.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.387 0.698 . . . . 0.0 111.294 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.02 63.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.911 0.386 . . . . 0.0 110.475 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.24 -46.19 69.06 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.85 -37.75 80.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.95 -49.45 63.15 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -72.04 -36.32 69.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.932 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.89 -67.84 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.642 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.85 -37.71 94.64 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.59 -34.06 76.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 117.562 0.681 . . . . 0.0 110.032 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.67 -45.25 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.7 -37.31 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.91 28.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.5 67.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.69 -51.66 64.07 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.39 -39.25 60.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.3 -104.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 175.25 26.68 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -96.48 88.12 4.61 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.558 0.743 . . . . 0.0 109.582 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.17 56.74 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.01 37.34 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.698 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -76.56 -35.68 58.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.487 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -78.27 -29.32 47.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.14 -45.89 9.76 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.78 65.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.698 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.2 -50.3 70.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -59.96 -31.16 69.63 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 122.466 0.306 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.72 -30.04 63.86 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.27 -46.05 90.53 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.431 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -66.78 -25.96 66.73 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.62 36.15 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.41 -23.36 76.49 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -70.05 -56.06 7.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -60.46 -51.38 69.69 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.64 -44.07 76.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.0 -47.21 68.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.221 0.325 . . . . 0.0 110.288 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.27 -51.81 66.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.64 -40.05 82.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -68.84 -25.38 64.62 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -72.03 -49.67 34.9 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -55.26 -61.38 2.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -167.33 -64.02 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 175.45 -173.04 0.08 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.03 -58.17 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.953 -1.498 . . . . 0.0 109.767 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -164.37 177.71 8.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -68.53 -57.35 5.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -161.68 61.22 0.26 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.43 -40.4 61.98 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.8 -44.59 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.575 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.72 -52.97 15.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.95 -44.41 63.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.497 0.498 . . . . 0.0 110.521 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.82 99.51 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -27.49 67.25 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.25 -38.47 87.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.6 69.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.6 -25.3 66.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.01 -40.49 38.81 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.98 -23.1 63.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.429 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -70.7 -68.59 0.42 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.29 -31.65 67.68 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.73 72.16 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.05 -40.29 62.27 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.739 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.72 -48.72 80.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.219 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -53.13 -49.43 66.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.503 0.721 . . . . 0.0 112.529 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.49 -65.03 0.74 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.98 29.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.739 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -79.12 -37.2 39.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.728 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.67 -38.97 58.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.407 0.283 . . . . 0.0 111.299 -178.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.98 -46.73 21.5 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -58.02 -47.57 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.65 68.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.899 179.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.56 -33.05 75.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.18 -95.72 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -153.15 -102.18 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 173.06 105.67 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.49 -106.38 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -69.09 -43.11 75.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.53 23.67 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.97 -49.39 50.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.78 0.432 . . . . 0.0 111.253 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.09 -44.07 78.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.08 -36.89 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -74.49 -51.08 15.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -53.62 -44.04 69.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.758 0.661 . . . . 0.0 109.501 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.3 91.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.07 -47.74 82.26 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.87 -55.34 31.49 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.064 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -48.74 -44.1 38.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.083 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -72.38 -48.6 40.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -80.45 -72.76 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.064 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -61.39 -37.51 83.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.044 -176.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.915 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -79.27 -149.91 0.05 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.8 51.96 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.507 1.13 . . . . 0.0 113.099 -178.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.915 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -139.96 -34.87 0.53 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -94.25 133.66 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 162.14 -5.12 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.268 0 C-N-CA 123.565 0.746 . . . . 0.0 109.638 -178.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.516 . . -171.74 74.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.29 1.993 . . . . 0.0 111.513 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -86.59 -17.4 34.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.398 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -152.99 65.55 5.7 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . 58.49 -109.67 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 122.178 1.918 . . . . 0.0 109.717 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.81 23.18 2.41 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.801 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 87.39 37.84 7.99 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 -178.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 55.43 -60.53 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.801 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 71.24 78.76 0.17 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.084 179.309 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.425 ' CB ' ' CB ' ' A' ' 75' ' ' TRP . . . -65.13 -176.69 0.31 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 174.49 57.99 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 69.37 93.84 0.08 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 173.63 -160.08 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.451 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 71.68 140.56 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 122.542 2.161 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.34 67.16 0.26 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -158.67 -146.85 0.16 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -153.43 134.85 14.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 123.391 0.432 . . . . 0.0 109.878 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 171.44 84.37 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 69.16 177.1 0.27 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -178.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -57.07 -25.06 58.08 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.867 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -9.25 125.54 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 126.059 2.099 . . . . 0.0 113.76 177.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 154.79 -73.14 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -175.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.514 ' C ' ' H ' ' A' ' 76' ' ' ALA . . . 57.99 -114.65 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.635 178.679 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.425 ' CB ' ' CB ' ' A' ' 61' ' ' SER . . . 75.07 -36.61 0.32 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' A' ' 74' ' ' ILE . . . -69.68 79.46 0.43 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.142 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 72.41 67.98 0.13 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.79 -35.45 22.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.448 0.467 . . . . 0.0 109.92 177.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.31 -53.97 49.92 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.56 -40.1 68.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.9 -48.61 75.34 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.11 62.76 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.11 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.08 14.11 Favored 'General case' 0 C--O 1.226 -0.147 0 O-C-N 123.573 0.545 . . . . 0.0 110.693 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.7 -70.2 0.98 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 177.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.27 -44.76 33.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 124.397 0.704 . . . . 0.0 110.756 177.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.0 -51.23 62.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.76 -42.87 68.69 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.14 -41.48 96.82 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.271 0.357 . . . . 0.0 110.417 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -49.66 -42.92 46.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.55 0.69 . . . . 0.0 109.147 178.227 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -75.82 -36.25 59.76 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.824 177.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.24 -66.43 2.73 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-N 114.018 -1.447 . . . . 0.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.06 -37.09 87.05 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -58.21 -40.0 80.47 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.37 -42.86 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -57.88 -44.72 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.58 -53.37 57.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.325 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.56 67.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -55.13 -54.36 44.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -66.07 -50.35 64.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.66 -23.89 44.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.84 24.59 76.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -91.95 91.9 8.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.88 -22.62 66.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.23 29.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.11 -34.3 70.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.663 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.73 40.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.719 0.408 . . . . 0.0 110.44 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.55 -47.19 12.78 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 178.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.94 81.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.29 -57.83 8.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.927 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -56.86 -28.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 122.717 0.407 . . . . 0.0 111.702 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.48 -34.59 65.4 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -56.7 -43.41 80.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.347 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.441 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.01 -27.64 60.21 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.741 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.5 -58.33 8.74 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.46 -22.12 77.85 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.33 -55.98 11.63 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.52 -46.97 80.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.32 -50.66 69.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.27 -43.46 61.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.47 0.481 . . . . 0.0 110.135 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.43 -50.84 66.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.95 -41.58 98.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.96 -31.75 63.25 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -71.87 -43.67 65.06 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -69.38 -145.2 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -159.7 -54.38 0.06 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 64.58 -168.2 0.21 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 69.38 -58.84 0.5 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.962 -1.494 . . . . 0.0 109.753 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' VAL . . . -56.24 -56.92 15.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -55.82 -55.78 28.4 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.46 -43.1 75.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.28 -44.35 59.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.57 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -62.66 -38.9 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.424 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.01 -51.97 14.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.69 -44.05 62.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.422 0.451 . . . . 0.0 110.573 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.53 98.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.47 -27.98 66.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.37 -38.78 88.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.28 76.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.84 -22.51 64.29 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.062 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.06 -43.15 22.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.116 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.8 -22.78 66.59 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -75.77 -65.36 0.91 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.6 -37.66 70.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.01 56.68 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.97 96.59 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.32 -50.99 71.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -47.27 -52.07 17.16 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.477 0.711 . . . . 0.0 112.682 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.04 -61.09 2.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -40.81 66.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 110.2 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -67.62 -51.94 44.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.519 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -58.86 -42.38 89.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.99 6.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.94 -55.36 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.24 -27.94 69.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -59.54 -77.04 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -37.86 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 O-C-N 125.003 1.439 . . . . 0.0 111.154 178.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -148.8 -62.94 0.24 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 177.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' CB ' ' CB ' ' A' ' 36' ' ' ALA . . . 73.6 -176.88 0.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.677 176.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 155.8 -73.86 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -178.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -79.43 -37.64 36.57 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.3 -57.31 5.48 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.322 179.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -53.97 -41.71 68.15 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.313 0.245 . . . . 0.0 110.546 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -59.36 -39.88 84.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -59.11 -35.83 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.68 -42.15 82.57 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.48 -44.19 68.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.23 0.956 . . . . 0.0 109.703 177.399 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.59 70.49 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.043 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -63.08 -46.11 88.96 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -50.79 -62.42 1.62 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.002 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -46.64 -45.36 19.11 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.777 0.673 . . . . 0.0 111.988 178.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.19 -39.62 66.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -74.88 -39.54 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.949 178.414 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -48.64 -48.11 39.83 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.595 0.758 . . . . 0.0 111.853 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.11 -85.16 0.07 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.55 141.49 0.38 Allowed 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 124.733 1.271 . . . . 0.0 111.907 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -134.17 -150.56 0.4 Allowed 'General case' 0 CA--C 1.52 -0.211 0 O-C-N 124.859 1.349 . . . . 0.0 111.627 -177.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -147.4 41.11 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 O-C-N 124.0 0.812 . . . . 0.0 110.472 -178.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.22 -31.01 0.39 Allowed Pre-proline 0 N--CA 1.448 -0.56 0 N-CA-C 105.531 -2.026 . . . . 0.0 105.531 176.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -96.04 -4.08 1.82 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 124.247 3.298 . . . . 0.0 110.369 179.035 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -91.36 -21.67 20.89 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -162.71 169.07 9.55 Favored Pre-proline 0 N--CA 1.449 -0.483 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.511 . . 151.84 -32.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.241 2.627 . . . . 0.0 108.863 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.1 101.0 3.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.61 60.41 2.21 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.432 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -159.71 24.56 0.18 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 173.81 172.08 0.18 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 173.83 -157.6 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.346 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 72' ' ' ALA . . . -69.44 -143.98 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.284 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -101.95 62.21 0.89 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.631 0.772 . . . . 0.0 109.781 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 179.89 -146.44 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.512 . . -60.9 174.25 1.85 Allowed 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 121.843 1.696 . . . . 0.0 109.472 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.51 -75.0 0.37 Allowed Glycine 0 C--N 1.339 0.705 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 171.7 -177.27 0.05 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.845 ' O ' ' N ' ' A' ' 70' ' ' ALA . . . 94.94 47.71 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 125.201 1.4 . . . . 0.0 109.563 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 51.19 -59.8 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.682 0.614 . . . . 0.0 109.655 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.845 ' N ' ' O ' ' A' ' 68' ' ' THR . . . 171.87 64.71 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -150.9 59.47 0.92 Allowed 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 62' ' ' THR . . . -59.79 120.29 9.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 177.014 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . 171.5 -144.13 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.125 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 64.89 178.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 174.05 144.32 0.05 OUTLIER 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 179.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 91.68 142.66 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.193 0.997 . . . . 0.0 108.601 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -50.56 161.11 0.35 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -177.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.52 -23.26 0.92 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.701 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.17 -54.36 30.8 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -58.53 -42.92 88.85 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.14 -50.55 70.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.03 -37.65 54.33 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.075 -1.61 . . . . 0.0 109.075 178.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.56 -64.28 0.88 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.28 -35.6 5.44 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.565 0.541 . . . . 0.0 112.1 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.78 -68.19 1.82 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 107.879 -2.089 . . . . 0.0 107.879 177.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -47.1 -47.09 23.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.631 -0.785 . . . . 0.0 109.99 177.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.44 66.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.21 0.319 . . . . 0.0 110.921 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.41 -57.39 9.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.167 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.16 -54.85 42.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -39.55 -61.12 0.85 Allowed 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.832 1.333 . . . . 0.0 112.838 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.71 -22.79 66.06 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 111.963 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.51 -35.61 46.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.4 -35.45 47.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.4 79.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -61.45 -46.73 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -64.16 -30.64 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.37 -53.05 62.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.3 71.42 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 36' ' ' ALA . . . -55.68 -50.06 71.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.05 -46.42 71.16 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.63 -24.81 23.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.27 -69.63 0.22 Allowed Glycine 0 C--N 1.339 0.734 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -36.14 106.15 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.16 -0.42 86.0 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 177.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.65 -44.83 18.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.28 -29.83 38.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.605 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -73.48 -35.0 65.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.72 30.09 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.08 -42.45 56.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.87 -47.72 68.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.08 -22.77 66.43 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 122.405 0.282 . . . . 0.0 110.641 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.81 -28.6 44.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.54 -47.38 79.03 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -66.06 -31.0 71.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 119' ' ' LYS . . . -73.92 -35.0 55.0 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.285 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.82 -29.16 65.64 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.18 -56.17 9.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.06 -50.41 64.22 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 115' ' ' GLY . . . -53.56 -63.46 1.14 Allowed 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.484 0.314 . . . . 0.0 111.048 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.77 45.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.45 -51.55 66.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.56 -54.51 7.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.578 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -52.83 -49.33 65.92 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.45 0.3 . . . . 0.0 111.496 -178.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -67.42 -39.44 85.47 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.434 ' CB ' ' CB ' ' A' ' 73' ' ' ALA . . . -55.62 -60.15 3.84 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.324 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -171.86 -69.36 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 55.3 67.93 0.94 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.86 60.21 0.25 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.777 179.924 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -75.48 177.54 6.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 179.31 61.62 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -77.95 -61.04 2.13 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.37 -37.33 44.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.388 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.79 -45.5 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.736 -179.316 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.45 -48.25 56.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.57 -48.18 57.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.66 0.6 . . . . 0.0 111.168 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' CB ' ' CB ' ' A' ' 53' ' ' PRO . . . -59.7 -33.12 71.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.23 -38.33 86.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.5 97.33 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.101 179.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.95 -27.24 66.63 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.04 -31.08 55.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.3 -39.28 71.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -61.66 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.41 -32.83 67.25 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.22 -77.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 108.489 -1.845 . . . . 0.0 108.489 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.9 -42.76 2.28 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.639 1.114 . . . . 0.0 115.228 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.76 -51.63 68.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.678 1.739 . . . . 0.0 108.287 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.32 -49.66 69.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.199 0.6 . . . . 0.0 112.196 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.89 -56.21 23.86 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -17.63 36.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.58 -47.03 14.76 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.535 -179.398 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.51 -30.16 62.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.323 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.43 -48.74 6.6 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 108.047 -2.021 . . . . 0.0 108.047 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -63.57 -34.13 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -62.06 -42.08 98.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.88 -68.66 0.52 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.03 67.62 10.27 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -47.92 138.53 8.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.693 0.62 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -150.74 -12.56 0.23 Allowed 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.734 0.646 . . . . 0.0 110.968 -179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 77.41 -46.0 0.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.968 0.507 . . . . 0.0 110.701 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -65.34 -47.95 74.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.471 0.177 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.06 79.21 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.58 -49.87 66.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.35 -45.98 62.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.235 0.334 . . . . 0.0 111.015 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.38 -28.54 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.12 -45.74 66.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.13 73.01 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.519 178.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.98 -51.46 69.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.18 -37.19 82.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.38 -66.69 0.34 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.982 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -45.05 -43.35 9.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.874 0.87 . . . . 0.0 113.067 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.14 -38.44 76.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -72.67 -41.32 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.151 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.37 -45.89 76.51 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.175 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.7 -94.45 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.188 -0.434 . . . . 0.0 110.144 -178.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.07 153.22 0.02 OUTLIER 'General case' 0 C--N 1.34 0.179 0 O-C-N 124.435 1.084 . . . . 0.0 112.676 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -66.1 138.24 57.6 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.913 -176.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -69.53 -53.81 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 43.99 -153.49 0.01 OUTLIER Pre-proline 0 N--CA 1.452 -0.342 0 C-N-CA 123.812 0.845 . . . . 0.0 112.299 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' CB ' ' CB ' ' A' ' 10' ' ' ARG 2.509 . . -173.31 -123.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 122.645 2.23 . . . . 0.0 109.213 179.809 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -85.7 133.41 34.02 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.067 0.547 . . . . 0.0 111.275 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 70.74 172.89 0.1 OUTLIER Pre-proline 0 N--CA 1.453 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.28 179.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.517 . . -55.95 -43.14 59.73 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 N-CA-C 106.926 -1.99 . . . . 0.0 106.926 178.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.61 -177.78 4.99 Favored 'General case' 0 N--CA 1.444 -0.737 1 N-CA-C 98.953 -4.462 . . . . 0.0 98.953 177.052 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.54 172.93 5.11 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 121.931 2.15 . . . . 0.0 110.385 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 170.04 -139.34 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -54.43 -42.25 70.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 73.53 -56.21 0.66 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.17 0.294 . . . . 0.0 110.619 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -166.75 107.29 0.64 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -155.2 170.34 22.06 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -60.01 176.02 0.36 Allowed Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.587 0.232 . . . . 0.0 110.575 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.515 . . 176.23 146.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.458 2.105 . . . . 0.0 109.188 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.27 66.61 2.08 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 56.2 -165.75 0.13 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -44.45 165.31 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.023 0.929 . . . . 0.0 112.926 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 77.51 51.63 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.275 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 171.6 -81.85 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . . . 52.19 39.02 26.02 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.412 179.477 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.53 96.15 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 74' ' ' ILE . . . -44.78 -63.53 0.89 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.436 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . 152.69 -154.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.268 0 O-C-N 124.574 1.171 . . . . 0.0 110.557 -176.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -141.27 -136.33 0.11 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.77 -63.5 1.27 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -169.97 164.51 9.56 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.08 -35.71 3.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.961 0.788 . . . . 0.0 111.591 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.64 -56.34 11.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.62 -47.23 73.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.92 -48.03 76.43 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.38 -39.61 65.85 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.58 -66.33 0.41 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 119.311 -0.376 . . . . 0.0 110.118 179.127 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.19 -35.75 3.43 Favored 'General case' 0 C--N 1.339 0.14 0 O-C-N 124.059 0.849 . . . . 0.0 110.74 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.06 -69.39 1.22 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 177.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.5 -45.78 37.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.106 0.533 . . . . 0.0 110.981 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -52.57 49.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.82 -38.61 70.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.12 -42.81 99.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.685 0.616 . . . . 0.0 110.21 177.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.36 -43.0 54.1 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.201 178.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.21 -36.39 63.96 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 114.35 -1.296 . . . . 0.0 109.675 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.11 -64.86 3.79 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 114.002 -1.453 . . . . 0.0 110.062 179.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.11 93.12 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.96 75.71 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.216 0.508 . . . . 0.0 109.987 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.49 -42.34 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.63 -48.47 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.42 80.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.432 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -60.39 -37.26 80.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.15 -50.1 65.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.782 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.14 162.44 1.39 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.62 58.28 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.916 -178.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -101.32 -100.19 2.43 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.704 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -154.14 127.78 8.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.59 -15.38 61.69 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -30.27 35.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 178.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.806 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -73.33 -34.41 65.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.443 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.432 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -80.26 -25.85 39.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.15 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.66 -47.1 8.14 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.43 64.51 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.806 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.65 -54.15 40.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.959 178.564 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.78 -26.48 68.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 122.7 0.4 . . . . 0.0 111.637 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.61 -32.29 60.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 178.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.89 -41.14 90.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.01 -28.43 62.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.745 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.46 -52.95 45.44 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -78.64 -19.92 72.45 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.77 -57.15 5.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.98 -48.54 78.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.45 -40.91 79.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -54.7 -47.17 74.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.39 -50.61 69.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.41 -35.65 78.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -69.94 -26.66 64.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.85 -60.36 2.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.43 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . -75.69 153.21 37.27 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.431 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . 54.1 26.74 6.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -55.54 164.61 0.99 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 174.89 -177.97 0.1 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.019 -1.467 . . . . 0.0 109.767 179.988 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 177.0 -60.49 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -58.78 -52.52 65.37 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -57.08 -46.01 82.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.78 -50.47 42.84 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.24 -34.52 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' CB ' ' CB ' ' A' ' 68' ' ' THR . . . -73.73 -52.1 14.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.11 -42.42 63.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.468 0.48 . . . . 0.0 110.35 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.53 92.91 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.97 -27.53 66.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.72 -44.9 65.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.15 -24.07 57.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.97 -38.55 32.0 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.297 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.34 -23.92 62.9 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.6 -68.05 0.51 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.56 -31.36 66.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.61 64.94 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.53 -40.4 97.61 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -52.6 64.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.11 -50.59 36.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.242 0.617 . . . . 0.0 112.521 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.89 -62.49 1.47 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.466 0.306 . . . . 0.0 111.471 -177.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.45 -33.85 46.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 123.619 0.574 . . . . 0.0 109.72 -179.705 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.43 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -73.59 -42.37 61.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.792 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.99 -45.12 64.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.63 -50.98 7.53 Favored Glycine 0 C--N 1.335 0.485 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -177.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.83 -49.21 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.01 71.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -28.89 61.53 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.49 -116.41 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -85.94 -169.75 2.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.717 0.407 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -120.04 168.59 11.02 Favored 'General case' 0 C--N 1.339 0.145 0 O-C-N 124.595 1.184 . . . . 0.0 110.353 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 81.93 -65.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.04 0.837 . . . . 0.0 110.436 179.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -58.2 -42.04 85.28 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -56.63 18.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.084 -179.225 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.15 33.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.407 0.442 . . . . 0.0 110.464 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.61 -58.73 6.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.666 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -53.54 -44.66 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.59 -41.23 93.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -50.0 -48.81 52.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 123.293 0.371 . . . . 0.0 110.74 178.737 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.85 58.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -67.12 -54.35 22.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -52.18 -52.05 54.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.275 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -47.91 -42.84 28.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.47 -42.06 70.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.429 0.633 . . . . 0.0 109.422 178.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.69 -40.1 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.986 178.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.743 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -80.16 167.12 20.75 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 175.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.31 5.89 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 118.072 2.619 . . . . 0.0 118.072 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.743 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . -67.82 -40.06 83.86 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 176.19 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -134.02 -36.13 0.93 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.259 1.024 . . . . 0.0 110.77 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.822 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -53.87 -39.07 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.633 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 39.22 -58.31 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.229 0 O-C-N 124.53 1.144 . . . . 0.0 113.22 178.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.822 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.499 . . -174.14 86.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 121.702 1.601 . . . . 0.0 111.465 -178.926 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -72.88 -26.39 61.42 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CB ' ' CB ' ' A' ' 61' ' ' SER . . . -144.81 -174.34 0.4 Allowed Pre-proline 0 C--N 1.34 0.162 0 O-C-N 123.714 0.634 . . . . 0.0 110.283 179.24 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -50.14 -46.71 27.11 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.207 2.605 . . . . 0.0 111.521 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -142.31 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.05 86.03 0.38 Allowed Glycine 0 C--N 1.34 0.775 0 N-CA-C 107.746 -2.142 . . . . 0.0 107.746 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.418 ' H ' ' CB ' ' A' ' 53' ' ' PRO . . . 87.81 31.11 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.325 1.05 . . . . 0.0 109.18 -179.123 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 166.22 -173.02 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.427 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -173.83 -165.9 0.27 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.542 0.21 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -154.51 90.44 1.33 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -171.98 -30.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.137 -179.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -83.31 82.7 0.03 OUTLIER Pre-proline 0 N--CA 1.45 -0.437 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.509 . . -54.67 -25.52 42.23 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.031 1.821 . . . . 0.0 109.532 179.505 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -145.68 79.88 0.23 Allowed Glycine 0 C--N 1.337 0.623 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 179.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -51.44 -65.68 0.52 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.702 0.401 . . . . 0.0 110.993 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.43 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . 173.22 -56.26 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -159.2 39.01 0.21 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.84 -16.34 11.35 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.443 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 71.85 136.23 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.33 21.59 12.55 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.667 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.686 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . 52.36 55.75 8.69 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -178.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -62.37 26.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.499 -177.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.686 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -101.79 -12.48 18.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.639 0.776 . . . . 0.0 109.905 178.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.3 131.21 56.03 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 123.96 0.904 . . . . 0.0 109.422 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 88.84 44.07 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.168 0 O-C-N 124.376 1.047 . . . . 0.0 109.172 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.35 -33.45 5.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.234 0.959 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.16 -58.68 4.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -53.96 -48.07 70.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.49 -47.61 75.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.6 -37.09 74.07 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 178.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.11 -62.25 1.78 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -52.2 -39.27 59.92 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -63.31 4.21 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 107.068 -2.413 . . . . 0.0 107.068 178.191 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.68 -40.75 54.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.568 -0.816 . . . . 0.0 109.422 176.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.68 -52.99 58.24 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 123.292 0.37 . . . . 0.0 111.03 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.48 -40.63 71.91 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.191 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.77 -41.09 85.78 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.04 -38.66 52.86 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -72.99 -35.57 66.89 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.348 -1.297 . . . . 0.0 109.59 177.315 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.88 -69.32 1.24 Allowed Glycine 0 CA--C 1.527 0.791 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.234 179.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.74 -36.25 93.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.96 -50.42 64.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.108 0.454 . . . . 0.0 110.087 179.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.446 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -61.5 -38.2 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -53.9 -51.56 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 101' ' ' ALA . . . -56.34 -45.56 80.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.39 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.52 -42.12 67.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -52.93 -53.72 45.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.638 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.67 -45.27 30.36 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . -58.0 -42.31 84.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.715 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 72.03 -159.19 53.67 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 71.03 126.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.422 0.289 . . . . 0.0 110.767 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.37 -14.42 81.96 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -54.58 5.63 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.99 67.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.13 -67.81 0.41 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.87 -38.66 16.8 Favored Glycine 0 C--N 1.338 0.643 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.81 87.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.59 43.2 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.983 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.43 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -60.35 -21.45 62.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.091 0.556 . . . . 0.0 112.436 -178.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.1 -37.25 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -55.42 -42.43 74.14 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -73.19 -29.78 63.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 178.59 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.29 -46.65 62.91 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.96 -25.78 57.17 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.31 -54.57 44.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.39 -42.24 62.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.894 -179.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -62.64 -60.44 3.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.057 0.143 . . . . 0.0 110.885 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.82 73.96 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -52.52 -43.22 64.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.335 0.397 . . . . 0.0 110.435 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.72 -70.67 0.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.464 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.57 -26.74 22.75 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.357 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -58.44 -51.36 70.18 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.447 ' C ' ' H ' ' A' ' 127' ' ' GLU . . . -55.58 -56.42 20.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -78.5 37.73 0.29 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 125' ' ' TYR . . . -63.36 178.99 0.48 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -163.28 179.07 7.65 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 116.956 -1.497 . . . . 0.0 109.748 179.97 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -162.49 51.69 0.19 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -55.75 -40.76 72.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 70.97 160.65 0.22 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.159 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.51 -39.57 37.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.513 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.81 -43.89 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.435 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -69.75 -52.28 26.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.64 -47.27 50.0 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 123.724 0.64 . . . . 0.0 111.246 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.07 96.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.95 -30.51 67.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.81 -37.77 88.61 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.36 80.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.296 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.05 -29.37 67.25 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.12 -45.76 59.28 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -60.2 -34.09 73.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.07 -66.56 0.52 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.95 -24.7 76.86 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.35 -39.35 31.26 Favored Glycine 0 C--N 1.337 0.633 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.09 -51.17 71.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.157 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.55 -50.72 59.51 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.243 0.617 . . . . 0.0 112.445 179.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -61.56 -58.34 8.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.807 0.337 . . . . 0.0 110.598 -178.554 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -19.97 18.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.723 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.4 -48.04 13.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.996 -179.161 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.23 -31.92 69.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.461 -178.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -51.71 4.9 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.06 -31.25 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.723 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -69.44 -43.36 73.5 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.237 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.13 -26.25 39.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.252 0.221 . . . . 0.0 111.039 -178.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 -118.14 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . -155.27 -90.47 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.729 ' C ' ' H ' ' A' ' 34' ' ' GLU . . . 43.08 -55.77 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 178.145 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.832 ' N ' ' O ' ' A' ' 31' ' ' PHE . . . 64.99 -46.57 0.35 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 -177.467 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.729 ' H ' ' C ' ' A' ' 32' ' ' ASP . . . -66.93 -42.8 84.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 177.303 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' CB ' ' CB ' ' A' ' 32' ' ' ASP . . . -62.23 -43.98 97.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.2 -43.83 71.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.01 -40.06 72.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -64.03 -34.87 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.4 -42.92 92.09 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.5 -41.21 63.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 124.347 1.03 . . . . 0.0 108.311 177.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.9 -48.6 72.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.85 -38.58 86.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -52.25 -57.02 10.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.43 -42.92 7.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.311 1.007 . . . . 0.0 109.915 175.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -59.27 -48.2 82.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.12 -0.362 . . . . 0.0 110.654 178.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -58.41 -47.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.95 69.01 1.86 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 102.468 -3.16 . . . . 0.0 102.468 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.678 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -83.86 125.43 31.97 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 -175.323 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -65.27 61.35 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 121.405 1.911 . . . . 0.0 107.378 177.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.678 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -165.44 -22.84 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -178.393 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -57.0 119.77 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 119.351 0.978 . . . . 0.0 109.802 -178.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.42 -42.67 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.541 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -74.23 -100.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.157 1.905 . . . . 0.0 109.5 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . 62.67 74.59 0.43 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.449 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . 97.58 -46.77 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.22 0 C-N-CA 125.092 1.357 . . . . 0.0 112.24 177.245 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.516 . . -56.46 149.4 57.19 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 N-CA-C 107.662 -1.707 . . . . 0.0 107.662 178.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.59 31.08 16.52 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.29 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.06 -167.48 36.11 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.42 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -49.37 91.25 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.245 0.618 . . . . 0.0 111.405 -179.869 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.814 ' O ' ' N ' ' A' ' 62' ' ' THR . . . -158.8 165.82 33.37 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.108 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -56.79 47.96 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.814 ' N ' ' O ' ' A' ' 60' ' ' SER . . . -163.23 -11.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.463 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -55.87 -48.17 76.04 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -159.22 -81.89 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.452 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 175.34 4.09 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 121.737 1.624 . . . . 0.0 111.23 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -152.13 -25.03 0.05 OUTLIER Glycine 0 C--N 1.339 0.727 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -62.12 -175.52 0.07 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 117.219 0.509 . . . . 0.0 110.362 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 172.5 168.94 0.12 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . 174.01 34.5 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 173.7 -71.18 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 175.96 98.93 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.38 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.89 75.84 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.51 81.29 4.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 124.214 0.946 . . . . 0.0 110.316 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -96.55 -25.21 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.434 ' O ' ' CB ' ' A' ' 76' ' ' ALA . . . 84.38 91.9 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.11 0.964 . . . . 0.0 110.801 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 75' ' ' TRP . . . 137.49 107.83 0.0 OUTLIER 'General case' 0 C--N 1.342 0.249 0 O-C-N 125.612 1.82 . . . . 0.0 106.994 -179.106 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -58.15 -177.93 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.593 0.357 . . . . 0.0 110.967 -179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.21 -47.77 17.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.987 0.515 . . . . 0.0 112.092 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.39 -55.43 27.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' CB ' ' CB ' ' A' ' 76' ' ' ALA . . . -52.95 -31.62 41.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' C ' ' H ' ' A' ' 83' ' ' ALA . . . -59.23 -58.7 7.5 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.644 178.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.38 -6.84 4.84 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 81' ' ' PHE . . . -80.47 -74.1 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 178.26 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.74 -37.33 8.34 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 123.989 0.806 . . . . 0.0 110.409 178.396 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.32 -63.5 5.01 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.3 -48.2 18.24 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.597 0.822 . . . . 0.0 111.0 176.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.61 24.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.403 0.281 . . . . 0.0 111.513 -178.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.44 -44.8 72.81 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.11 -42.19 76.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.82 -44.53 59.2 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 123.862 0.726 . . . . 0.0 109.117 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -70.8 -36.65 73.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.461 178.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.57 -66.93 2.5 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.37 98.75 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.43 -38.8 66.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.257 0.528 . . . . 0.0 110.257 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.08 -41.82 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.07 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.55 -58.56 8.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.65 63.06 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.731 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.67 -52.45 65.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.14 -40.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 123.363 0.415 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.31 -103.7 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.23 36.36 0.02 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.42 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -102.94 90.37 3.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.808 0.843 . . . . 0.0 109.826 -179.325 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.65 -24.95 57.83 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.6 36.65 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -74.68 -32.62 62.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.12 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.06 -28.04 39.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.5 -45.63 10.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.05 72.97 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.33 -53.34 54.26 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.304 178.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.73 -30.45 67.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 122.499 0.32 . . . . 0.0 111.201 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.88 -32.14 63.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.53 -46.43 88.89 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -68.1 -26.58 65.89 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.507 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.86 15.04 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.43 -25.55 74.75 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.091 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.05 -63.05 1.26 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.55 -47.21 84.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -61.57 2.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.849 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.18 -41.82 28.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.626 0.579 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.58 -50.81 69.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.303 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -69.65 -58.49 3.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.893 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -51.92 -29.32 19.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 123.249 0.343 . . . . 0.0 110.41 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -68.18 -55.48 12.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -76.44 -63.71 1.27 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 122' ' ' HIS . . . 174.8 162.2 0.22 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -78.48 -62.13 1.79 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -170.21 58.82 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.975 -1.488 . . . . 0.0 109.801 179.934 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 177.35 -61.57 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 5' ' ' GLU . . . 75.83 156.57 0.18 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . -78.79 26.22 0.25 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.456 -179.208 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 3' ' ' THR . . . -68.23 -60.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.575 ' CB ' ' O ' ' A' ' 54' ' ' LEU . . . -59.84 -40.51 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.999 -179.191 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.94 -50.61 32.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -52.27 -48.76 65.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 123.383 0.427 . . . . 0.0 110.991 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.19 91.26 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 178.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.71 -29.07 67.86 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.67 -39.94 88.36 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.23 89.09 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.937 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.06 -28.9 66.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.44 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.31 -32.52 64.65 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.19 -35.85 78.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -64.86 -65.05 0.72 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.76 -34.21 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.43 -71.26 0.77 Allowed Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 179.043 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.67 -42.87 2.14 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 124.367 0.984 . . . . 0.0 114.421 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.0 -53.65 55.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.041 1.421 . . . . 0.0 108.043 178.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -50.4 -51.55 45.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.479 0.712 . . . . 0.0 112.761 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.61 -56.75 13.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.865 0.466 . . . . 0.0 111.697 -178.135 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.71 42.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.434 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.08 -40.89 26.68 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -58.9 -62.1 2.13 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.85 -42.36 85.79 Favored Glycine 0 C--N 1.337 0.604 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.78 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . -56.21 -36.33 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 118.116 0.958 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.02 26.13 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.69 -52.89 9.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 117.777 0.262 . . . . 0.0 111.484 -177.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.29 -119.2 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.78 ' O ' ' O ' ' A' ' 27' ' ' VAL . . . -88.7 -164.07 1.07 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -150.19 74.98 1.22 Allowed 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.902 0.752 . . . . 0.0 109.921 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.58 -88.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.17 -52.04 67.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.405 0.282 . . . . 0.0 111.756 -179.002 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.93 -49.21 74.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 122.05 0.14 . . . . 0.0 110.768 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -52.44 39.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.353 0.408 . . . . 0.0 110.555 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.08 -49.56 60.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.357 0.411 . . . . 0.0 110.632 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.89 -34.51 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.608 0.242 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.98 -42.77 94.26 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.12 -45.66 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 123.937 0.773 . . . . 0.0 109.245 177.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.48 -54.53 39.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.046 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -32.94 72.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.45 -60.34 3.55 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 178.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.97 -44.82 2.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.727 1.267 . . . . 0.0 110.122 176.534 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -55.06 -46.34 75.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.23 -38.37 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.41 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 174.241 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.88 -135.99 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -172.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.82 -149.58 0.08 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 103.244 -2.873 . . . . 0.0 103.244 171.216 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -84.48 108.49 17.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 175.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -55.53 -37.45 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.855 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.0 70.3 0.0 OUTLIER Pre-proline 0 N--CA 1.447 -0.578 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.425 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.572 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.514 . . -172.81 19.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.208 1.939 . . . . 0.0 110.63 -179.906 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.575 ' O ' ' CB ' ' A' ' 6' ' ' VAL . . . -79.19 -20.39 48.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.874 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -138.76 -176.68 0.6 Allowed Pre-proline 0 C--N 1.34 0.191 0 O-C-N 123.83 0.706 . . . . 0.0 109.69 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.505 . . -51.76 -40.4 65.57 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.826 2.351 . . . . 0.0 109.793 -179.795 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.98 31.41 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 178.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.745 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 100.55 19.13 19.0 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 -177.507 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 53.25 -63.77 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.739 0.416 . . . . 0.0 110.159 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 73.46 145.41 0.08 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.921 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.82 ' O ' ' N ' ' A' ' 63' ' ' ASP . . . -155.22 80.12 1.05 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.37 0.419 . . . . 0.0 109.967 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -55.18 43.92 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.135 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.82 ' N ' ' O ' ' A' ' 61' ' ' SER . . . 71.06 40.14 0.92 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.507 179.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -121.34 -178.92 0.65 Allowed Pre-proline 0 N--CA 1.455 -0.191 0 O-C-N 124.238 0.961 . . . . 0.0 108.675 179.299 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 63.52 -153.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 121.662 1.575 . . . . 0.0 109.579 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.02 42.74 0.04 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -79.56 179.21 7.61 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -128.68 127.75 42.76 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 124.269 0.98 . . . . 0.0 109.607 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 174.98 51.14 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 55.15 65.09 1.58 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.875 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 55.7 47.19 21.08 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.32 -34.81 71.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.312 -179.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -79.54 -12.17 59.87 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.896 -0.573 . . . . 0.0 110.416 179.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.422 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . 6.73 50.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.333 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.487 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -58.57 155.78 11.79 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 178.092 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 165.34 -50.91 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -178.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 157.34 102.19 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.67 -39.84 5.42 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 123.776 0.672 . . . . 0.0 111.655 -179.606 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.67 -47.96 82.97 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -59.36 -45.36 91.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.469 179.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.35 -52.59 64.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.22 -38.07 32.31 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 178.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -54.08 -65.81 0.51 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.97 -35.47 0.37 Allowed 'General case' 0 C--N 1.343 0.302 0 O-C-N 124.696 1.248 . . . . 0.0 110.766 179.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.61 4.25 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 105.837 -2.905 . . . . 0.0 105.837 176.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -47.82 -51.9 20.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.407 -0.897 . . . . 0.0 111.111 177.423 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.96 19.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.24 -45.59 72.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.66 -44.13 90.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.36 0.412 . . . . 0.0 110.819 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -50.62 -48.07 58.09 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.285 0.564 . . . . 0.0 110.311 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -73.74 -34.18 64.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.048 178.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.6 -67.76 2.03 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.641 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.92 82.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -67.91 -34.74 77.19 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.507 0.653 . . . . 0.0 110.146 -179.449 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.711 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -68.15 -41.95 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.866 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -68.19 -38.19 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.33 -51.61 65.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.419 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -64.08 -30.57 71.63 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.219 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.63 76.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.6 1.63 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -179.001 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.79 32.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.43 -147.34 2.2 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.581 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.69 -179.68 5.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.838 0.855 . . . . 0.0 110.112 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.2 -17.79 61.93 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.214 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.95 -30.76 35.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.872 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -73.34 -38.95 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.319 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.553 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -78.9 -27.75 43.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.691 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.73 -50.4 6.52 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -38.02 62.75 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.872 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.47 -49.65 72.79 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.752 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -61.58 -29.42 70.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 122.469 0.308 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.14 -27.93 61.95 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.41 -44.94 93.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 178.082 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.93 -27.57 66.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.004 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.08 -50.97 54.84 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 108.59 -1.804 . . . . 0.0 108.59 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -55.53 -66.57 2.74 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -48.61 -27.92 3.13 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.003 0.401 . . . . 0.0 111.97 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -75.19 -74.39 0.21 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.445 0.164 . . . . 0.0 111.201 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -37.83 65.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.524 -179.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.0 70.33 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -59.04 -41.2 87.25 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.23 -65.28 0.7 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.28 -17.53 1.83 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.549 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -73.77 -60.54 2.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.422 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -75.02 -51.57 13.26 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.783 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -64.0 -178.92 0.36 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 174.97 68.76 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.62 -60.14 0.05 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.021 -1.466 . . . . 0.0 109.778 179.979 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -75.79 -62.56 1.55 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 179.14 77.97 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 70.89 73.38 0.19 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.92 -34.22 44.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.121 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.46 -47.92 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.584 -179.395 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.03 -51.4 32.49 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.17 -44.89 52.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 123.775 0.672 . . . . 0.0 110.89 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.325 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.18 -30.46 68.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.95 -38.0 89.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.65 75.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.309 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.06 -26.18 65.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.16 -40.36 45.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.16 -27.97 66.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.24 -67.32 0.46 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.29 -29.79 69.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.37 -25.92 73.19 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -39.89 32.75 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.83 -51.08 71.05 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.46 -46.05 76.85 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.446 0.698 . . . . 0.0 112.722 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.53 -59.86 4.35 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.939 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.12 -21.37 59.18 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.532 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 1.141 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.3 -42.62 22.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.468 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.42 -34.28 58.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.518 -178.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -53.84 3.97 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.419 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -66.44 -44.29 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.532 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 1.141 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -59.52 -39.9 85.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.216 179.459 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.14 -17.4 52.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.275 0.23 . . . . 0.0 110.433 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.45 -139.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 177.81 99.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -177.97 -90.23 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 165.52 -36.6 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.209 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.02 -48.09 81.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -178.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.64 56.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.772 -0.156 . . . . 0.0 110.944 -178.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.49 -51.97 24.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 123.497 0.498 . . . . 0.0 110.99 -179.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.63 -46.27 67.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.183 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -56.44 -38.58 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.5 -41.3 98.73 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.92 -46.44 64.63 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 123.933 0.771 . . . . 0.0 109.628 177.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.99 -52.06 64.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.77 -35.17 74.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.03 -59.12 5.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.57 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.89 -44.91 1.74 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 124.858 1.348 . . . . 0.0 110.069 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.71 -44.1 73.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -66.01 -44.52 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.17 66.06 2.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 175.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . -83.6 -140.13 0.06 Allowed 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -172.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.95 -148.58 0.08 Allowed 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 102.769 -3.048 . . . . 0.0 102.769 170.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -81.08 104.96 11.92 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 174.371 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.542 ' C ' ' N ' ' A' ' 53' ' ' PRO . . . -72.81 -39.36 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 118.099 0.409 . . . . 0.0 112.064 -177.275 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 69.41 -32.54 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -177.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.542 ' N ' ' C ' ' A' ' 51' ' ' VAL . . . 67.76 55.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 123.221 2.614 . . . . 0.0 112.615 177.552 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 114.25 163.08 0.0 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.987 1.715 . . . . 0.0 110.27 177.748 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -108.31 -99.99 0.0 OUTLIER Pre-proline 0 N--CA 1.455 -0.192 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.516 . . -173.61 -87.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.295 1.997 . . . . 0.0 109.26 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.34 85.24 0.1 Allowed 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.37 78.56 0.03 OUTLIER Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.111 -1.195 . . . . 0.0 110.111 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 70.23 51.96 0.37 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -167.1 171.96 10.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 59.74 89.66 0.06 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 69.24 -159.82 0.18 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.146 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -153.88 119.89 5.35 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.694 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -55.85 -59.24 12.12 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -168.33 -47.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 121.921 1.748 . . . . 0.0 109.627 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.07 32.09 0.8 Allowed Glycine 0 C--N 1.337 0.614 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -80.89 167.75 19.53 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 71.07 156.04 0.15 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -56.25 -53.72 53.83 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 175.38 51.84 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -171.29 51.15 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.35 -45.53 69.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.99 123.35 48.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 105.601 -1.999 . . . . 0.0 105.601 177.045 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -100.19 -15.21 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.785 0.834 . . . . 0.0 109.377 -178.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 75.54 97.65 0.07 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.167 0.587 . . . . 0.0 110.676 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 162.48 -136.47 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.278 0.986 . . . . 0.0 108.703 -179.27 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -167.88 164.43 14.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 178.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.26 -41.42 5.9 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 111.916 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.05 -62.4 1.39 Allowed 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -52.17 -46.33 65.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -178.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.82 -50.17 71.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.28 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.11 -38.98 57.08 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.97 -66.25 0.43 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.14 -35.64 3.28 Favored 'General case' 0 C--N 1.34 0.185 0 O-C-N 123.872 0.732 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.51 -74.64 0.29 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 107.771 -2.132 . . . . 0.0 107.771 177.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.38 -46.1 12.97 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.209 0.594 . . . . 0.0 111.204 178.107 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.84 -46.47 71.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.15 -47.13 72.28 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.54 -35.38 77.6 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.702 178.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.74 -49.16 66.0 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.04 -35.93 64.36 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.193 178.373 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.17 -64.66 3.98 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.454 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -36.06 79.15 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 123.266 0.46 . . . . 0.0 111.989 -178.376 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.32 71.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 117.515 0.657 . . . . 0.0 109.913 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.599 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -72.09 -46.21 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 122.429 0.292 . . . . 0.0 110.911 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -71.66 -36.01 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.55 -57.35 13.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.418 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -73.41 -36.75 66.03 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.035 -179.265 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 95' ' ' VAL . . . -62.47 -54.53 38.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -66.29 -50.47 63.56 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.06 -179.698 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 7.09 0.14 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.23 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.82 107.13 0.73 Allowed Glycine 0 C--N 1.338 0.666 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.427 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . 168.85 71.01 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.557 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.62 -26.17 59.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.9 35.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.427 ' CB ' ' CB ' ' A' ' 103' ' ' ASP . . . -71.19 -31.68 67.93 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.113 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.47 -66.57 0.53 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -53.62 -40.77 63.72 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.913 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -60.04 2.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.599 -0.354 . . . . 0.0 111.57 -177.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.8 67.26 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.897 0.38 . . . . 0.0 110.38 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.38 -21.99 66.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.794 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -75.48 -33.83 60.85 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 178.393 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.33 -42.91 96.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 177.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.444 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.49 -30.15 69.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.678 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.88 -54.54 27.52 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.188 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.04 -20.0 78.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.18 -62.21 1.68 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.12 -44.97 94.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.51 -59.59 4.48 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . -47.85 -46.01 30.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 123.617 0.573 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.27 -52.93 63.36 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.19 -69.12 0.25 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.414 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -49.37 -23.07 1.31 Allowed 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 123.466 0.479 . . . . 0.0 111.03 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 120' ' ' ALA . . . -68.16 -58.58 4.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -75.19 -54.72 6.64 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.448 -0.205 . . . . 0.0 110.448 -179.621 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 74.5 164.67 0.28 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.835 0.454 . . . . 0.0 110.147 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -54.03 -59.7 4.3 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.239 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 58.94 -169.5 0.13 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.764 -179.988 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.47 62.23 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -161.22 -177.59 6.14 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . -160.29 64.77 0.33 Allowed 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.75 -42.84 57.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.79 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.525 -179.611 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.65 -49.03 51.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.36 -49.57 61.22 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.606 0.567 . . . . 0.0 111.141 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.38 85.14 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.57 -33.2 72.35 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.028 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.53 -39.29 93.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.14 99.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.914 179.431 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.48 -27.56 69.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.19 -37.41 66.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.49 -38.82 88.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.64 -64.39 0.96 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.49 -31.75 64.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.64 -75.57 0.27 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.49 -42.14 1.82 Allowed Glycine 0 C--N 1.339 0.727 0 C-N-CA 124.299 0.952 . . . . 0.0 114.663 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -62.22 -54.0 47.17 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.613 1.707 . . . . 0.0 108.935 179.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.14 -52.31 27.01 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.508 0.723 . . . . 0.0 112.783 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.27 -52.5 61.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.33 66.07 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.112 0.482 . . . . 0.0 110.338 -178.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.17 -35.61 36.21 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.87 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.6 -59.08 3.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.2 -39.96 97.57 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.247 -178.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -65.75 -33.98 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 118.206 1.003 . . . . 0.0 109.097 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.97 63.64 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.664 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.6 -17.19 52.11 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.568 0.347 . . . . 0.0 110.48 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.77 -141.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.51 0.324 . . . . 0.0 111.084 -178.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.1 85.01 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -170.43 -99.69 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 168.11 -35.68 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -54.95 -54.61 40.54 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -53.77 -49.41 68.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.298 0.239 . . . . 0.0 111.127 -178.66 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -54.31 21.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.421 0.45 . . . . 0.0 110.776 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.25 -52.23 46.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 123.28 0.362 . . . . 0.0 111.332 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -61.25 -37.22 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.691 0.282 . . . . 0.0 110.853 -179.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.85 -44.52 92.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' CB ' ' CB ' ' A' ' 99' ' ' ALA . . . -50.12 -47.68 53.88 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 123.966 0.791 . . . . 0.0 109.623 177.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.8 63.17 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.692 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.91 -35.95 81.75 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.82 -60.5 3.28 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.99 -43.86 1.62 Allowed 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.405 1.066 . . . . 0.0 109.444 175.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.66 -44.22 73.08 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -55.05 -36.58 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.506 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.64 81.61 4.08 Favored 'General case' 0 CA--C 1.519 -0.238 1 N-CA-C 98.346 -4.687 . . . . 0.0 98.346 172.175 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.34 178.62 8.27 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -166.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.34 11.9 4.04 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.98 -1.918 . . . . 0.0 110.977 177.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -177.61 -36.86 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 120.36 1.436 . . . . 0.0 109.584 -177.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.623 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . 48.62 -117.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.356 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 65.6 -54.26 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.456 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -177.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.623 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.5 . . 79.06 56.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.677 2.251 . . . . 0.0 112.466 177.853 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 140.6 174.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.276 0 C-N-CA 126.053 1.741 . . . . 0.0 108.02 178.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 172.23 57.0 0.02 OUTLIER Pre-proline 0 N--CA 1.452 -0.333 0 O-C-N 122.958 0.161 . . . . 0.0 110.704 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . 172.79 79.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.237 1.958 . . . . 0.0 109.477 179.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 69.36 7.22 6.11 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.68 60.64 3.14 Favored Glycine 0 C--N 1.337 0.625 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 69.0 -176.81 0.21 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 68' ' ' THR . . . -78.78 70.02 5.05 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.425 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -154.69 139.59 17.24 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.35 49.79 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 -179.668 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 69.18 83.13 0.16 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.618 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 72.98 146.07 0.11 Allowed Pre-proline 0 N--CA 1.45 -0.441 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.091 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.513 . . 156.37 179.28 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.793 2.329 . . . . 0.0 108.746 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.72 78.85 0.28 Allowed Glycine 0 C--N 1.339 0.718 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.785 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.629 ' O ' ' N ' ' A' ' 69' ' ' GLU . . . -154.96 166.13 34.54 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.431 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . 40.21 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.139 0 O-C-N 124.245 0.966 . . . . 0.0 111.895 -179.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 67' ' ' GLN . . . 172.66 177.63 0.09 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.77 -62.93 1.32 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.731 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 51.95 24.23 2.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.358 179.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 79.2 38.02 0.13 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 177.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 51.26 67.94 0.87 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 177.221 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -50.73 -76.58 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 O-C-N 124.008 0.818 . . . . 0.0 109.515 178.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 48.81 -148.01 0.25 Allowed 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.394 0.434 . . . . 0.0 111.921 178.591 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.73 47.05 0.31 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -92.07 44.37 1.17 Allowed 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 177.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.517 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -39.83 -50.71 2.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -176.445 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -80.05 -44.06 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.96 1.254 . . . . 0.0 112.448 -176.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -64.73 -64.97 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.092 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.71 -46.34 87.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 78' ' ' MET . . . -50.44 -42.15 42.31 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 177.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.84 -64.46 0.82 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.347 178.049 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.58 -36.3 0.38 Allowed 'General case' 0 C--N 1.342 0.273 0 O-C-N 124.858 1.348 . . . . 0.0 110.691 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.69 -73.07 0.51 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 106.561 -2.615 . . . . 0.0 106.561 177.645 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.64 -54.24 4.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.578 0.81 . . . . 0.0 112.272 177.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -54.27 31.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.714 0.405 . . . . 0.0 112.032 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -39.4 75.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.4 -41.93 86.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.856 178.073 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.43 -57.3 12.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.32 0.248 . . . . 0.0 111.382 -179.08 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -65.88 -30.84 71.51 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.127 0.489 . . . . 0.0 109.695 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.06 -63.67 4.98 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.82 -40.82 97.61 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.77 65.18 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.689 0.744 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -71.58 -42.15 71.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.445 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -64.12 -36.61 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.5 45.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.438 ' CB ' ' CB ' ' A' ' 107' ' ' PHE . . . -74.79 -31.95 61.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.808 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.432 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -65.47 -50.18 66.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.568 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.21 -61.25 1.92 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.094 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 157.35 35.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.413 0.149 . . . . 0.0 110.678 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -50.61 90.22 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 176.12 35.01 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.95 -22.71 55.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -68.46 0.37 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -178.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.36 -12.7 32.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -75.61 -35.65 60.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.053 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.12 -43.07 41.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.42 -26.42 63.67 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.22 -51.11 49.13 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.841 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -68.92 -24.17 64.26 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -67.43 -45.42 76.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.68 -39.08 92.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.047 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.19 32.47 Favored Glycine 0 C--N 1.336 0.541 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.795 -178.318 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.85 -13.01 75.28 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -74.09 -62.32 1.55 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.2 -47.7 81.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.641 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -52.91 -51.73 60.24 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.175 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.15 -67.67 0.23 Allowed 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.599 0.562 . . . . 0.0 110.111 179.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -41.54 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.889 0.743 . . . . 0.0 112.89 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -51.63 -44.0 62.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.021 0.201 . . . . 0.0 111.267 -179.368 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 119' ' ' LYS . . . -46.3 -62.57 1.29 Allowed 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.188 0.595 . . . . 0.0 112.522 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -74.62 -39.76 61.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -54.21 -54.49 39.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.299 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -55.53 -70.89 0.1 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.746 ' O ' ' N ' ' A' ' 129' ' ' ASP . . . 55.14 66.18 1.3 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.837 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -55.57 60.62 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.746 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.052 -1.451 . . . . 0.0 109.748 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.33 -57.84 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -72.7 -170.82 0.74 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 71.46 75.86 0.18 Allowed 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.87 -45.69 60.46 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.65 -40.64 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.72 -48.58 59.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.677 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.64 -45.01 70.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 123.397 0.436 . . . . 0.0 110.116 179.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.16 99.36 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.92 -29.35 68.32 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.74 -38.69 91.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.62 -46.44 72.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.224 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.09 -27.95 64.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.909 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.91 -41.02 60.5 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.48 -28.53 69.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.49 -67.7 0.43 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.4 -31.05 67.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -25.44 75.07 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.54 -40.26 39.42 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 1.026 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.24 -48.55 78.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.616 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -61.31 -39.44 90.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.003 0.521 . . . . 0.0 111.475 178.123 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -68.54 -70.25 0.28 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -22.32 48.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 1.026 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -78.09 -46.3 21.13 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.73 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.77 -24.95 58.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.334 0.254 . . . . 0.0 111.45 -178.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -49.47 5.83 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.356 -2.298 . . . . 0.0 107.356 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.64 -31.16 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.86 -41.51 74.76 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.523 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.01 -29.0 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.12 -136.04 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.61 79.54 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.2 -159.16 0.86 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -141.42 -27.4 0.68 Allowed 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 123.912 0.758 . . . . 0.0 110.029 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.69 -46.71 89.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.86 79.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.89 57.92 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.283 0.365 . . . . 0.0 110.98 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -55.33 -47.84 75.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.92 -43.18 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.54 -42.15 98.41 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' CB ' ' CB ' ' A' ' 96' ' ' ILE . . . -51.47 -53.04 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 123.763 0.664 . . . . 0.0 110.468 178.808 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.98 -44.1 63.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.53 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.76 -46.53 90.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.82 -63.89 1.0 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.95 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -49.59 -48.47 48.81 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.37 -52.49 39.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.48 -68.51 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -176.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -64.1 -41.3 97.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.07 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.829 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -70.47 -158.22 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.774 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.73 60.84 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 124.964 1.415 . . . . 0.0 112.437 -178.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.829 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -154.53 -35.64 0.1 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.646 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -55.24 -58.27 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 122.739 0.415 . . . . 0.0 111.798 -179.826 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.65 54.93 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.498 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.656 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -163.42 16.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 121.78 1.653 . . . . 0.0 110.283 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -68.64 -32.28 72.02 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 121.971 0.108 . . . . 0.0 110.742 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -171.76 68.5 0.44 Allowed Pre-proline 0 N--CA 1.45 -0.432 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 179.665 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.492 . . 77.92 -131.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 122.492 2.128 . . . . 0.0 113.946 176.578 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.25 10.52 39.31 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 124.517 1.136 . . . . 0.0 112.389 -176.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.2 -63.02 0.01 OUTLIER Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.434 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 68.82 59.96 0.36 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -178.255 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 169.45 156.03 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -179.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 173.18 -49.52 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 -179.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -50.74 121.17 5.5 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 123.326 0.391 . . . . 0.0 111.179 -178.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -79.45 -61.51 1.98 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -63.72 150.43 90.82 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.698 ' O ' ' N ' ' A' ' 67' ' ' GLN 2.514 . . -69.12 -80.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.041 1.827 . . . . 0.0 110.375 -179.587 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.69 -73.36 0.0 OUTLIER Glycine 0 C--N 1.337 0.628 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.698 ' N ' ' O ' ' A' ' 65' ' ' PRO . . . -96.31 -172.34 2.51 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.452 0.701 . . . . 0.0 109.344 179.461 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 49.4 77.72 0.1 Allowed 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.63 0.582 . . . . 0.0 110.633 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -75.78 72.85 2.71 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.504 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.32 74.55 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.975 -0.102 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 73' ' ' ALA . . . 70.9 77.08 0.18 Allowed 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 122.988 0.18 . . . . 0.0 111.036 178.712 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.645 ' O ' ' N ' ' A' ' 74' ' ' ILE . . . -41.97 -16.07 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -27.69 -18.9 0.0 OUTLIER 'General case' 0 C--N 1.34 0.185 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.645 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -35.94 152.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.355 0 C-N-CA 124.117 0.967 . . . . 0.0 111.953 178.021 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 80.75 -125.25 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 -175.187 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 59.25 -128.57 1.22 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 119.274 -0.393 . . . . 0.0 110.363 178.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -110.0 85.66 2.15 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.771 0.829 . . . . 0.0 110.255 -178.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.43 -26.9 0.94 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.902 0.751 . . . . 0.0 110.542 178.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.31 -52.33 28.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -56.92 -45.72 82.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.81 -50.24 72.95 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.851 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.53 -39.77 38.11 Favored Glycine 0 C--N 1.338 0.68 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.42 -66.4 0.41 Allowed 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.73 -35.51 0.33 Allowed 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.566 1.166 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.19 -70.4 0.99 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 106.371 -2.691 . . . . 0.0 106.371 176.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.5 -52.89 7.53 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 124.381 0.695 . . . . 0.0 111.82 177.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.64 67.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.401 0.28 . . . . 0.0 110.947 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.36 -49.61 64.0 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.3 -34.09 73.29 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 122.37 0.268 . . . . 0.0 111.306 178.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.02 -53.38 58.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 118.731 0.696 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.548 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -73.65 -34.42 64.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.801 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.25 -62.79 5.79 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.054 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.22 -39.13 88.29 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -178.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.16 67.77 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.548 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -65.36 -43.87 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.219 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.431 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . . . -63.03 -32.8 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.27 -45.24 91.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.321 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.431 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -64.7 -35.62 81.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.49 57.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.32 -50.35 71.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.54 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.39 21.03 73.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' CB ' ' CB ' ' A' ' 106' ' ' ALA . . . -87.69 89.46 8.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.89 -30.14 65.91 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -29.32 36.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.437 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.431 ' CB ' ' CB ' ' A' ' 98' ' ' ALA . . . -76.69 -33.57 58.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.81 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -66.16 -63.44 1.08 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.2 -31.94 66.63 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.434 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.42 -55.25 5.88 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.547 0.674 . . . . 0.0 110.869 -177.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.41 96.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.63 -26.15 66.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.585 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -71.43 -34.75 70.56 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.34 -44.1 95.84 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -62.38 -35.16 78.3 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.478 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.42 71.21 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.34 -64.37 4.36 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.482 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -48.67 -53.39 18.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.954 0.377 . . . . 0.0 111.927 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.76 -65.93 0.61 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.908 -0.133 . . . . 0.0 111.12 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.32 -63.97 0.97 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.54 -54.42 7.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -50.62 -59.38 4.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.399 0.28 . . . . 0.0 111.498 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -57.16 -48.54 78.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.65 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 127' ' ' GLU . . . -58.98 -27.87 65.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.603 -179.489 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -69.47 -53.51 18.84 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.424 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . -55.3 -63.56 1.12 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -75.06 -76.85 0.13 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 123' ' ' ASP . . . 63.63 178.4 0.16 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -76.47 -62.22 1.7 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.983 -1.484 . . . . 0.0 109.762 -179.907 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -64.4 -178.65 0.39 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 53.45 55.7 8.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.419 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.42 96.63 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.54 -51.76 32.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.09 -39.4 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.353 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.15 -51.31 32.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.48 -46.97 63.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.637 0.586 . . . . 0.0 110.804 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.77 97.8 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.16 -29.79 67.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.81 -38.68 89.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.24 75.99 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.149 179.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.55 -28.32 65.38 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.63 -40.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -62.9 -35.66 80.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -62.8 -65.08 0.74 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.62 -39.4 70.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.76 73.63 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.79 23.27 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.56 -49.11 78.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.198 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.1 -51.45 57.7 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.352 0.661 . . . . 0.0 112.388 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.57 -60.92 2.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.283 0.233 . . . . 0.0 111.263 -178.441 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.53 -20.13 18.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.34 -45.92 16.97 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.022 -179.609 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.0 -34.45 71.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.328 -178.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.68 -49.02 8.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -179.523 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.9 -35.33 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.1 97.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.36 -30.84 71.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.63 -143.2 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.05 -64.44 0.12 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.992 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -27.0 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 172.88 -22.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.904 0.127 . . . . 0.0 110.929 -179.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.83 -52.14 61.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.194 0.198 . . . . 0.0 111.003 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.67 72.66 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.2 -51.54 43.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.32 0.388 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.19 -45.1 68.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.203 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.3 -35.65 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.163 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.51 -44.69 81.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.83 -46.7 64.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.959 0.787 . . . . 0.0 109.555 178.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.99 65.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.99 -35.72 81.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.98 -62.47 1.63 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.773 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -44.89 -44.02 9.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.063 0.852 . . . . 0.0 111.238 177.76 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.73 -46.36 74.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.53 -41.97 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -71.87 -28.94 63.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.115 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -52.27 -62.05 1.88 Allowed 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.137 0.898 . . . . 0.0 108.61 178.266 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.29 139.11 35.61 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.069 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -125.28 39.04 4.06 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 124.336 1.022 . . . . 0.0 110.272 178.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . 63.3 -151.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 101.573 -3.492 . . . . 0.0 101.573 -176.256 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 62.47 31.17 0.1 OUTLIER Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 121.616 2.007 . . . . 0.0 109.089 177.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -163.66 -25.27 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.704 1.603 . . . . 0.0 110.524 -179.347 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -130.53 -19.44 3.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.781 0.832 . . . . 0.0 110.183 -179.624 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -89.56 -174.38 0.45 Allowed Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 122.739 0.416 . . . . 0.0 109.92 -179.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.423 ' CB ' ' CB ' ' A' ' 62' ' ' THR 2.512 . . 84.45 -138.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 122.808 2.338 . . . . 0.0 111.503 178.878 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.33 98.2 0.23 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.622 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.96 47.64 1.07 Allowed Glycine 0 C--N 1.34 0.767 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 178.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 171.33 -9.51 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 123.68 0.282 . . . . 0.0 110.918 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 175.24 -169.63 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -53.45 117.13 2.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.809 -179.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.423 ' CB ' ' CB ' ' A' ' 56' ' ' PRO . . . 172.54 -37.96 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -161.36 -175.01 4.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 54.28 -165.96 0.01 OUTLIER Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.266 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.511 . . 172.19 12.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 121.948 1.765 . . . . 0.0 110.617 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -151.64 -23.54 0.05 OUTLIER Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -67.29 -153.64 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 117.121 0.46 . . . . 0.0 110.295 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 74.55 -162.23 0.08 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -150.69 -61.11 0.19 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -70.12 0.15 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 69.22 145.71 0.05 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' C ' ' H ' ' A' ' 74' ' ' ILE . . . 173.61 -173.86 0.06 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.626 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.75 -4.62 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.074 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.613 ' H ' ' C ' ' A' ' 72' ' ' ALA . . . -108.49 98.98 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.247 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 161.29 39.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -178.143 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 166.47 -31.42 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 -178.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -105.0 46.54 0.91 Allowed 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 124.198 0.936 . . . . 0.0 108.724 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.04 -30.17 1.75 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.222 0.951 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.35 -56.95 7.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -56.35 -49.58 73.97 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.4 -54.66 37.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.65 -37.77 42.75 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 178.654 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.85 -66.05 0.46 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.32 -36.33 2.74 Favored 'General case' 0 C--N 1.341 0.223 0 O-C-N 123.878 0.736 . . . . 0.0 111.112 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.16 -72.52 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 107.714 -2.154 . . . . 0.0 107.714 177.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.06 -46.66 8.62 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.595 0.82 . . . . 0.0 111.064 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.86 -50.55 66.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 110.238 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.49 -52.0 42.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.727 179.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.36 -37.05 79.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.259 0.224 . . . . 0.0 110.845 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.04 -52.62 41.39 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.007 0.432 . . . . 0.0 110.015 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.43 -34.78 63.31 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.372 179.022 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.43 -67.19 2.31 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.208 179.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.69 -36.97 93.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.91 76.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.49 -45.01 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 122.738 0.415 . . . . 0.0 110.184 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.57 -36.3 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -51.75 65.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -72.96 -58.0 3.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.418 -178.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.04 -54.36 13.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.081 0.552 . . . . 0.0 111.645 -179.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.79 -44.88 78.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.07 -11.06 59.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 119.104 -0.474 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -124.34 -110.74 1.89 Allowed Glycine 0 C--N 1.342 0.866 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 178.64 -159.91 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.204 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.15 -28.91 14.25 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -74.74 0.1 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.23 74.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -62.6 -51.05 68.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.3 -38.13 67.46 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.3 -63.24 1.1 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.467 -178.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.28 -46.59 88.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.756 -178.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.15 -26.79 67.59 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.06 -31.34 62.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.61 -46.19 83.69 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.013 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.412 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -60.85 -32.4 71.81 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.026 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.31 -89.51 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 178.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -39.6 -30.07 0.18 Allowed Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.599 0.618 . . . . 0.0 114.179 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -59.05 4.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.016 0.908 . . . . 0.0 109.236 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.33 -47.3 77.0 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.49 -45.3 81.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -54.95 -43.6 73.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.582 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.73 -43.78 76.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.77 -37.79 79.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -66.35 -23.41 66.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.758 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -76.9 -49.04 16.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.435 ' CB ' ' CB ' ' A' ' 72' ' ' ALA . . . -78.5 -167.24 1.02 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.603 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -69.99 -176.76 1.18 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.9 -172.6 3.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.62 178.4 8.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.962 -1.494 . . . . 0.0 109.799 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 68.11 178.15 0.24 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 52.27 50.11 19.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.266 0.354 . . . . 0.0 110.586 -179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -80.27 -62.11 1.78 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.31 -34.98 48.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.223 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -63.97 -43.67 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.661 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.8 -50.21 21.63 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.36 -44.97 65.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.418 0.449 . . . . 0.0 110.495 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.46 98.87 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.32 -28.5 68.19 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -38.29 89.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.83 97.15 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 178.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -64.73 -22.88 67.08 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.2 -43.58 23.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.96 -26.02 64.84 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.581 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.93 -67.72 0.42 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.66 -28.84 64.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.54 67.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.744 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.85 -40.27 15.01 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -177.67 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.05 -51.61 68.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.815 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.42 -46.88 83.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.08 -60.62 3.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.036 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.21 -20.27 10.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.052 178.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -79.98 -45.72 17.95 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.846 -179.139 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -72.11 -33.59 67.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.284 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.29 -53.21 4.22 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.94 -47.38 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.29 77.03 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.652 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -77.8 -21.13 52.07 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 117.59 0.177 . . . . 0.0 110.593 -178.871 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.31 -141.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.35 0.26 . . . . 0.0 110.787 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.83 68.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -160.88 -155.55 0.42 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -143.56 -31.07 0.48 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.846 0.716 . . . . 0.0 109.304 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.21 -45.66 90.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.73 81.65 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.79 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.47 67.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.324 0.39 . . . . 0.0 109.974 179.626 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.24 -47.58 65.66 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 123.332 0.395 . . . . 0.0 110.338 179.47 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.93 -35.6 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.08 -42.67 93.89 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 179.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.31 62.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.054 0.846 . . . . 0.0 108.928 177.591 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.27 69.37 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.85 -34.34 72.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.137 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -56.66 -63.53 1.17 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.83 -40.78 1.03 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.157 0.91 . . . . 0.0 111.203 177.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -69.8 -49.55 51.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 178.773 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.68 -55.2 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 C-N-CA 123.369 0.667 . . . . 0.0 109.694 -178.648 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.18 81.18 1.79 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 173.791 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.617 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -84.25 133.28 34.57 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 -175.71 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -68.56 64.01 0.11 Allowed 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 175.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.617 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . 171.61 13.49 0.0 OUTLIER 'General case' 0 C--N 1.345 0.408 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -177.12 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -51.21 -52.31 19.42 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 CA-C-N 121.664 2.029 . . . . 0.0 110.324 178.513 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 10.26 48.92 0.01 OUTLIER Pre-proline 0 C--N 1.345 0.398 0 C-N-CA 126.048 1.739 . . . . 0.0 115.322 178.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.52 . . -172.7 -103.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 122.331 2.021 . . . . 0.0 108.768 -179.869 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . 71.82 59.1 0.16 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.733 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 100.38 47.95 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.241 0 O-C-N 125.14 1.525 . . . . 0.0 111.788 177.725 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.5 . . -73.29 -150.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.725 2.283 . . . . 0.0 106.8 176.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.13 92.1 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 121.206 -0.934 . . . . 0.0 109.531 178.68 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.19 -91.8 0.09 OUTLIER Glycine 0 C--N 1.336 0.581 0 N-CA-C 108.43 -1.868 . . . . 0.0 108.43 179.316 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -89.93 -61.79 1.61 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.288 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.44 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -65.12 -149.83 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.969 178.726 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 70.6 65.13 0.19 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.235 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 54.8 43.06 30.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.337 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -160.69 -168.79 2.21 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 58.21 -148.7 0.01 OUTLIER Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.517 . . 82.43 166.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.668 2.246 . . . . 0.0 109.886 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.12 -170.66 11.11 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 68.88 -160.78 0.19 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -47.51 -88.38 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 123.808 0.692 . . . . 0.0 111.611 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 127' ' ' GLU . . . 175.02 -176.0 0.09 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 178.88 39.74 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 69.46 76.35 0.22 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 96.79 -139.35 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 125.095 1.497 . . . . 0.0 109.257 179.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 1.123 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -152.04 85.01 1.27 Allowed 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 178.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.44 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . -32.05 32.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.245 0 O-C-N 125.118 1.511 . . . . 0.0 112.974 -178.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 1.123 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -147.45 -18.9 0.38 Allowed 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 124.002 0.814 . . . . 0.0 111.08 179.388 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.03 -37.74 2.05 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 174.19 85.02 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 119.708 -0.187 . . . . 0.0 111.115 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.88 -40.23 13.62 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 123.59 0.556 . . . . 0.0 111.786 179.255 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.02 -55.56 27.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . -54.06 -41.61 68.35 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.312 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.75 -50.95 70.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.262 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.49 50.84 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.82 -64.48 0.81 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.71 -35.96 2.92 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 124.072 0.857 . . . . 0.0 111.156 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.01 -70.44 0.94 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.381 -2.288 . . . . 0.0 107.381 177.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.09 -45.58 16.4 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 124.706 0.886 . . . . 0.0 110.495 177.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -52.81 57.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.121 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.68 -46.22 74.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.17 -43.21 92.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.213 0.321 . . . . 0.0 110.615 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.81 -47.09 51.57 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.667 0.604 . . . . 0.0 109.926 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.87 -31.41 61.6 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.213 178.136 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.98 -65.01 3.89 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.9 179.021 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.12 92.09 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -178.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.88 82.0 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.564 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.51 -47.02 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.53 -33.58 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.08 -49.08 71.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.452 179.565 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.54 90.48 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.725 -179.34 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.57 70.17 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.95 -26.64 48.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.183 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.42 -113.58 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -78.77 -61.54 2.4 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.746 -0.475 . . . . 0.0 112.551 -178.488 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.85 -151.76 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 117.338 0.569 . . . . 0.0 111.356 -178.4 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.83 -18.08 2.56 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.628 -179.533 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.93 -75.42 0.08 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.01 0.405 . . . . 0.0 110.401 179.644 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.88 87.6 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.493 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.97 -47.48 85.64 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.331 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.26 -35.69 91.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 -178.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.07 -61.2 2.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.37 0.605 . . . . 0.0 109.629 -179.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.97 -41.15 82.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.647 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.75 -17.39 64.53 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.137 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.13 -32.02 39.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.75 -43.65 98.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 176.149 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.45 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -69.58 -29.27 66.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 177.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.57 -46.5 93.62 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.3 -66.51 2.79 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 107.968 -2.053 . . . . 0.0 107.968 178.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.834 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.85 -65.53 0.49 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 179.541 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.77 -72.28 0.13 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -66.2 0.43 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.04 -35.13 61.64 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.865 -0.112 . . . . 0.0 111.019 -178.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.834 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -56.24 -45.04 80.14 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.012 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -75.9 -55.18 5.86 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.61 -24.98 15.6 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.4 0.28 . . . . 0.0 110.672 -179.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.9 -57.63 3.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -67.74 -67.64 0.44 Allowed 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 65.04 165.12 0.16 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.721 0.296 . . . . 0.0 110.802 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -178.68 58.87 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.882 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 64.18 60.41 0.98 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.033 -1.46 . . . . 0.0 109.819 179.963 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.743 ' O ' ' N ' ' A' ' 4' ' ' LYS . . . 177.3 178.76 0.27 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -55.57 61.21 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.743 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -160.09 59.51 0.35 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.873 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.16 -45.91 53.88 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.8 -38.19 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.31 -179.807 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.38 -53.18 14.99 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.8 -43.26 48.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.634 0.584 . . . . 0.0 110.82 179.613 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.46 89.55 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.181 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.54 -30.1 68.37 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.121 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.05 -37.16 86.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.27 77.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.585 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.87 -25.22 67.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.441 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.77 -46.66 21.01 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.763 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.67 -27.08 68.1 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.78 -66.77 0.51 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.327 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.1 -26.9 67.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.44 -37.23 62.63 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.643 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.84 -39.02 85.88 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.614 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.58 -50.92 72.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.352 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.9 -44.58 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.742 0.417 . . . . 0.0 111.08 178.534 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.34 -62.1 1.82 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.527 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -22.42 11.41 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.413 179.084 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.85 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.17 -44.0 20.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.769 -179.75 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.0 -37.02 75.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.386 -178.769 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.2 -53.0 4.61 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.85 -48.36 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.85 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -55.84 -39.51 71.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.631 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.93 -19.2 61.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.871 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.51 -146.86 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.349 0.26 . . . . 0.0 110.745 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 169.03 79.22 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.349 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -179.55 -33.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 170.11 -24.42 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -46.67 -50.94 16.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.703 0.627 . . . . 0.0 112.279 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -68.76 0.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.445 0.298 . . . . 0.0 111.785 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -65.79 0.5 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.178 0.299 . . . . 0.0 111.459 -178.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.91 -70.95 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.374 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.49 -49.95 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -60.09 -46.79 88.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 121.89 -0.506 . . . . 0.0 109.657 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.41 -52.79 12.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.766 0.666 . . . . 0.0 110.978 179.661 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.95 71.19 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -50.8 -56.72 10.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.329 178.455 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -43.83 -57.4 3.28 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.638 1.211 . . . . 0.0 108.68 178.35 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.69 -57.12 1.58 Allowed 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.581 1.176 . . . . 0.0 111.47 176.72 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.15 -47.28 72.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.359 0.527 . . . . 0.0 111.171 178.436 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.45 -34.6 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.252 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.55 60.56 3.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 103.473 -2.788 . . . . 0.0 103.473 173.207 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.69 -143.86 0.09 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -176.514 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.34 -161.26 0.4 Allowed 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 168.359 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -94.38 142.7 27.12 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.638 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -78.82 55.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.342 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.409 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -130.67 -30.64 0.03 OUTLIER Pre-proline 0 N--CA 1.453 -0.3 0 O-C-N 124.774 1.296 . . . . 0.0 107.691 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -69.62 -17.49 38.19 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.306 2.004 . . . . 0.0 109.983 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -93.73 -50.0 5.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.325 0.65 . . . . 0.0 109.723 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 52' ' ' ALA . . . -113.73 -174.3 0.27 Allowed Pre-proline 0 C--N 1.343 0.318 0 O-C-N 124.222 0.951 . . . . 0.0 112.234 -178.138 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.512 . . 154.54 -43.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.515 2.81 . . . . 0.0 108.83 -179.789 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.82 117.91 1.78 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.433 179.507 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.815 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 88.31 -6.31 83.71 Favored Glycine 0 C--N 1.338 0.692 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 178.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.438 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -54.87 43.47 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 117.332 0.566 . . . . 0.0 110.695 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . -162.13 171.59 17.19 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 173.89 93.13 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.161 0.288 . . . . 0.0 110.44 -179.648 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.422 ' CB ' ' CB ' ' A' ' 72' ' ' ALA . . . -77.71 138.54 39.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.741 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -176.17 -46.92 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 66' ' ' GLY . . . 71.1 30.9 0.04 OUTLIER Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -80.15 24.93 0.62 Allowed 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.263 1.975 . . . . 0.0 109.563 179.652 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 64' ' ' LEU . . . 164.83 -152.93 22.84 Favored Glycine 0 C--N 1.335 0.522 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -179.887 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -53.19 -65.61 0.53 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 122.413 0.285 . . . . 0.0 110.73 -179.444 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 62.84 174.84 0.15 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.51 0.324 . . . . 0.0 110.649 -179.702 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -162.46 -74.69 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.23 -65.51 0.91 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.72 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 53.95 -163.65 0.11 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.808 179.139 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.422 ' CB ' ' CB ' ' A' ' 62' ' ' THR . . . -100.84 132.83 46.05 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 179.7 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . 151.74 -83.18 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -178.451 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 53.62 -75.88 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.847 179.57 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.563 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 174.14 -96.69 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 118.184 0.447 . . . . 0.0 111.034 179.84 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' CB ' ' CB ' ' A' ' 80' ' ' ASP . . . -89.61 15.16 9.97 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 123.923 0.764 . . . . 0.0 111.379 -178.257 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 85.05 -156.55 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.406 0.683 . . . . 0.0 111.385 178.304 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.29 -43.01 7.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.04 0.837 . . . . 0.0 113.093 -178.505 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.11 -61.77 1.95 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.577 0.171 . . . . 0.0 111.235 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' CB ' ' CB ' ' A' ' 76' ' ' ALA . . . -52.53 -46.44 66.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.421 0.451 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.04 -46.49 75.31 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.64 -38.77 83.64 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 178.285 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -65.61 0.53 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.79 0.295 . . . . 0.0 110.611 179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -50.18 -38.34 39.26 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 123.609 0.568 . . . . 0.0 109.57 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.25 -62.6 4.94 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 106.507 -2.637 . . . . 0.0 106.507 177.384 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.48 -41.52 53.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.705 -0.747 . . . . 0.0 109.812 176.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.48 -53.74 50.21 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.046 0.451 . . . . 0.0 111.311 -179.203 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.5 -38.91 72.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.305 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.73 -41.67 86.98 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.51 -37.32 48.66 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.233 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.437 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.92 -35.75 62.19 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.975 177.26 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.15 -67.86 1.84 Allowed Glycine 0 CA--C 1.523 0.589 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.775 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.76 90.94 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.93 -47.06 71.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 117.451 0.626 . . . . 0.0 110.278 179.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.429 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -66.73 -38.92 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.41 -51.75 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.6 -62.32 1.97 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.516 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.71 -54.01 39.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 122.342 0.257 . . . . 0.0 110.975 -178.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.91 -51.7 28.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.834 0.709 . . . . 0.0 110.078 179.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.79 -44.07 69.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.361 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.15 -101.29 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.339 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.71 -160.95 33.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.337 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 74.1 130.79 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.206 0.526 . . . . 0.0 112.003 178.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.39 -4.66 80.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.67 -49.49 13.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.94 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -67.85 -39.77 83.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.631 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.727 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -75.58 -23.84 56.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.78 -57.79 2.8 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.6 -43.79 79.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -179.272 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.94 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -61.93 -52.13 65.32 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.634 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -62.9 -24.34 67.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.776 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.49 -35.56 40.01 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.41 -45.43 88.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.65 -30.67 70.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.54 -38.64 61.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.82 61.62 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.18 -53.48 19.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.01 -49.38 65.49 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -58.76 6.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.06 56.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 123.282 0.364 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.64 -51.63 66.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.587 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -71.31 -51.32 25.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.662 -179.427 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -52.6 -37.72 58.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 123.188 0.305 . . . . 0.0 110.394 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -75.67 -50.43 15.43 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.851 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -70.2 -64.31 0.92 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' A' ' 122' ' ' HIS . . . -55.91 -71.71 0.08 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.724 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 64.0 178.9 0.17 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.43 -63.32 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.746 179.962 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.21 -54.13 12.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.42 -39.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.97 -47.68 57.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.63 -46.21 63.55 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.649 0.593 . . . . 0.0 110.675 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.86 -42.45 97.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.33 -32.48 70.12 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.36 -38.56 87.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -66.9 -44.06 81.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.049 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.34 -25.8 64.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.45 -37.02 44.59 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.59 -30.77 68.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.66 -67.39 0.45 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.84 -33.57 70.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.33 -22.08 78.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 -41.12 20.73 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 108.659 -1.776 . . . . 0.0 108.659 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.02 -46.63 84.97 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.88 -45.99 90.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.494 0.718 . . . . 0.0 112.754 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.43 -60.68 3.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.989 0.423 . . . . 0.0 109.865 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -20.13 54.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.605 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.45 -42.18 23.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.748 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.92 -31.42 61.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.318 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.88 -46.42 9.52 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.02 -2.432 . . . . 0.0 107.02 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.88 -35.53 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -60.75 -42.11 96.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.54 -74.91 0.19 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.5 61.59 4.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.113 0.565 . . . . 0.0 110.42 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.07 -175.25 0.72 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.802 0.334 . . . . 0.0 110.701 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 174.64 -64.35 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.96 -49.83 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.06 -48.05 80.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.402 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.1 50.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.086 0.155 . . . . 0.0 110.975 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.75 24.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.399 0.437 . . . . 0.0 111.212 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.36 -47.18 69.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.002 0.188 . . . . 0.0 110.527 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 120.652 0.263 . . . . 0.0 111.082 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.2 -43.9 85.47 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -52.8 -46.47 67.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 123.871 0.732 . . . . 0.0 109.935 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.55 -49.83 69.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.84 -39.22 88.25 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.15 -67.99 0.21 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.124 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.48 -42.08 3.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 124.357 1.036 . . . . 0.0 111.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.14 -40.96 78.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -74.18 -46.93 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.78 -60.96 2.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.11 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.393 0 C-N-CA 122.934 0.493 . . . . 0.0 111.191 -178.415 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 110.764 -0.087 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -43.57 -32.32 0.91 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 123.744 0.652 . . . . 0.0 111.356 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -72.46 -58.88 3.03 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.981 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.97 -48.42 75.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.38 -47.77 75.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.86 -39.19 61.56 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.39 -67.42 0.27 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.189 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.5 -34.85 1.46 Allowed 'General case' 0 C--N 1.341 0.235 0 O-C-N 123.94 0.775 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.44 -73.2 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 106.958 -2.457 . . . . 0.0 106.958 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.24 -46.83 12.69 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.321 0.659 . . . . 0.0 111.279 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.31 -49.13 64.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.36 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.28 -42.71 77.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.12 -40.29 89.2 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.062 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.94 -47.02 61.12 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.51 70.51 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.609 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.84 -67.31 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.666 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.09 -37.68 91.85 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.19 78.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.629 0.714 . . . . 0.0 110.393 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.73 -44.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.555 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -61.91 -36.63 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.91 78.3 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.2 75.24 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . . . -58.4 -52.19 66.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -67.03 -52.76 38.38 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -22.33 13.87 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 78.08 16.76 79.34 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.606 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -83.29 86.79 6.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -29.62 57.83 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.61 -29.32 36.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -75.63 -36.09 60.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.263 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.03 -26.58 39.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 122.52 0.328 . . . . 0.0 110.562 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.26 -45.17 10.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.55 -39.03 65.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.39 69.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.67 -27.64 69.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 122.487 0.315 . . . . 0.0 111.387 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.36 -32.83 64.74 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.18 -41.1 98.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -69.36 -30.55 68.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.74 -52.36 51.22 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -73.91 -18.93 79.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.61 -61.0 1.94 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.05 -47.83 84.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.5 -46.69 76.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -52.73 -41.26 63.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.413 0.446 . . . . 0.0 110.126 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -58.55 -53.95 52.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.31 -39.78 80.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.822 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.18 -41.56 57.73 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.23 -42.19 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.452 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.86 -52.33 25.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -48.78 -46.37 41.38 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.813 0.696 . . . . 0.0 111.175 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.58 -45.33 94.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.98 -29.9 67.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.01 -38.66 92.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.67 -41.8 78.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.199 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.73 -26.16 66.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.12 -40.32 46.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.07 -29.4 68.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.91 -67.38 0.46 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.28 -31.24 68.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.3 78.72 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.24 -40.57 19.62 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.51 -46.98 85.62 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.67 -47.47 82.22 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.529 0.731 . . . . 0.0 112.815 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.43 -61.91 1.93 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 110.71 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -22.06 56.18 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.392 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.674 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.3 -43.06 21.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.772 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.14 -34.22 65.97 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 122.618 0.367 . . . . 0.0 111.185 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.87 -46.84 12.82 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.72 -2.152 . . . . 0.0 107.72 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.23 -33.51 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -61.88 -43.48 98.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.373 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.27 -76.33 0.16 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 119.851 -0.118 . . . . 0.0 110.811 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.48 62.77 6.09 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.959 0.504 . . . . 0.0 109.884 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.78 -176.24 1.03 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 110.754 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 174.43 -64.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 169.61 -49.98 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.86 -49.51 72.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -54.99 39.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.061 0.144 . . . . 0.0 111.273 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.93 39.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.299 0.374 . . . . 0.0 111.063 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.42 -46.16 66.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.141 0.276 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -65.63 -36.3 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 111.134 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.97 -45.11 78.7 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.65 67.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.74 0.65 . . . . 0.0 109.61 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.31 -50.55 71.13 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.94 -37.14 81.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.58 -70.25 0.11 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.744 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.01 -41.08 1.58 Allowed 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.186 0.928 . . . . 0.0 112.484 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -60.77 -40.14 91.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.42 -48.62 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.21 -54.04 18.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.643 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.399 0 C-N-CA 122.763 0.425 . . . . 0.0 111.966 -177.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -37.25 4.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 124.106 0.879 . . . . 0.0 111.691 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.28 -62.21 1.48 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.68 -49.21 65.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.36 -45.77 76.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.0 -39.34 78.99 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.75 -66.58 0.37 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.467 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -48.01 -36.04 12.06 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 123.701 0.625 . . . . 0.0 109.979 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.61 -66.66 2.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 106.852 -2.499 . . . . 0.0 106.852 177.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.52 -43.21 35.02 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.326 0.662 . . . . 0.0 110.325 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -52.7 -52.39 56.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.013 0.435 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.34 -40.32 74.28 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.03 -41.56 83.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.42 -38.52 53.99 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.81 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.05 -37.51 64.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.968 177.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.47 -64.72 3.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.424 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.59 -39.17 96.56 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.44 -44.4 72.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 117.181 0.49 . . . . 0.0 110.292 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.0 -40.95 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.38 -50.4 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.4 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.166 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.91 68.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -55.75 -49.03 74.21 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.45 -38.16 58.61 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.349 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -104.25 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.22 -55.19 0.19 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.09 126.81 2.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.34 -4.59 89.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.23 -44.35 17.9 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.63 63.09 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.486 -1.233 . . . . 0.0 108.115 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.73 -62.52 1.82 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.67 92.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.13 -58.68 5.4 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.9 -39.29 74.14 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.68 -22.01 66.09 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.495 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.69 -33.93 40.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.21 -42.23 94.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.81 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.55 -29.12 67.61 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.61 -40.73 94.17 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -80.07 -23.34 61.6 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.75 -57.85 5.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.94 -46.99 86.88 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.69 -45.58 81.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -55.26 -44.53 75.68 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.59 -48.8 68.9 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -66.55 -36.48 82.78 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.858 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.425 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -80.09 -30.81 39.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.64 -48.06 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.95 -50.39 35.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.35 -45.18 54.9 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.744 0.652 . . . . 0.0 111.004 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.99 -43.63 98.44 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.44 -30.34 68.42 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.96 -38.09 89.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.99 -43.28 79.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.202 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.68 -26.06 65.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.3 -35.97 47.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.78 -26.37 62.4 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -69.08 -68.08 0.43 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.3 -29.65 70.0 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.48 -23.13 76.23 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.57 -39.99 24.05 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.02 -51.09 71.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.41 -42.31 77.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.184 0.594 . . . . 0.0 112.106 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.9 -63.96 0.99 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.008 0.433 . . . . 0.0 110.101 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -55.78 -23.68 31.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.42 -45.77 17.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.517 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.22 -34.31 70.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.561 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.43 -50.91 5.16 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.63 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -59.12 -45.31 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -65.25 -37.78 88.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.647 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.04 -31.69 56.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.46 -118.97 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.56 -162.26 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.76 74.37 1.21 Allowed 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 123.845 0.716 . . . . 0.0 110.009 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.82 -88.57 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.76 -50.36 69.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -56.73 -50.56 71.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 122.474 -0.141 . . . . 0.0 110.798 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.42 64.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.282 0.363 . . . . 0.0 110.234 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.64 -49.25 62.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.292 0.37 . . . . 0.0 110.989 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -36.08 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.87 -43.43 92.98 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -52.96 -42.62 65.67 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.733 0.645 . . . . 0.0 109.531 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.54 -50.38 72.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.3 -38.28 79.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.57 -64.02 0.96 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.26 -46.92 2.38 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.121 0.969 . . . . 0.0 112.409 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.13 -39.77 75.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.86 -37.33 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -44.23 -49.59 9.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 124.508 1.13 . . . . 0.0 110.862 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.031 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.776 -0.083 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.81 -34.98 4.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.863 0.727 . . . . 0.0 111.733 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.07 -56.86 7.35 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.633 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.34 -46.43 72.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.73 -46.46 81.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.64 65.19 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.51 -66.13 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.113 -0.47 . . . . 0.0 110.065 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.03 -34.86 1.87 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.236 0.96 . . . . 0.0 110.781 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.15 1.79 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 106.633 -2.587 . . . . 0.0 106.633 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.61 -47.06 40.29 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.292 0.642 . . . . 0.0 110.973 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.5 49.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.45 0.3 . . . . 0.0 111.363 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.77 -37.78 71.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.548 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.1 -43.03 61.01 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.622 0.725 . . . . 0.0 109.336 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.69 -33.62 62.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.712 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.75 -64.79 4.06 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.206 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.4 -36.67 89.42 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -55.62 -37.76 68.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.483 0.641 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -74.23 -41.96 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.61 -52.08 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.86 67.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.577 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.38 67.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -56.17 -51.26 68.66 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.09 -51.62 15.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.6 -27.67 50.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.16 78.57 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.523 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -83.84 85.87 7.24 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.63 -25.52 55.64 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.9 -31.91 34.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.685 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -74.84 -36.09 62.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.115 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.432 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -80.13 -25.16 40.0 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.03 -47.39 9.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.54 -32.14 69.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -65.11 -57.9 7.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.49 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.27 -25.97 67.45 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.96 -33.11 59.77 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.1 -44.2 87.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -74.09 -26.53 60.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.58 13.57 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.77 -18.72 74.73 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.37 -56.97 7.55 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.2 -46.77 82.48 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.45 -50.0 72.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.47 75.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.065 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.82 -47.2 74.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -71.94 -36.41 69.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.36 -50.62 37.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.31 -38.61 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.11 -48.81 50.08 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.24 -48.09 65.37 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.477 0.486 . . . . 0.0 110.896 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.45 -38.95 89.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.29 -32.3 71.07 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.63 -38.48 91.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.17 -46.29 87.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.846 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.48 -28.07 65.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.85 -37.03 67.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.85 -39.62 93.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.1 -64.31 0.99 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -54.53 -36.33 64.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.34 -71.79 0.69 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.78 -43.55 2.39 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.393 0.997 . . . . 0.0 114.115 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.84 -54.8 41.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.115 1.458 . . . . 0.0 108.227 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.0 -49.17 42.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.274 0.63 . . . . 0.0 112.145 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.32 -57.67 7.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.86 69.61 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.278 0.561 . . . . 0.0 110.188 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -78.0 -34.61 50.67 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.517 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.47 -58.48 3.93 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.625 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.93 -41.98 99.77 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.97 -37.22 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -68.94 -40.54 78.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.38 -16.68 53.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.504 0.322 . . . . 0.0 110.533 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.92 -142.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.271 0.228 . . . . 0.0 110.574 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.95 61.72 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -157.41 -152.74 0.37 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.65 -26.56 0.41 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 123.676 0.61 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -59.21 -50.14 75.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.88 78.2 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.99 61.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 123.416 0.448 . . . . 0.0 110.169 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.94 -47.14 68.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -60.84 -35.74 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.2 -43.4 91.68 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.45 -44.95 62.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.245 0.965 . . . . 0.0 109.112 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -53.84 -51.07 64.74 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.63 -34.28 75.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.46 -59.91 4.16 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.83 -42.46 1.81 Allowed 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.914 1.384 . . . . 0.0 109.452 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -56.49 -46.05 80.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -63.19 -47.38 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.41 66.75 4.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.818 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -172.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 120.639 0.257 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.01 -38.4 3.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.311 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.83 -61.69 1.69 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.626 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.27 -48.7 70.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.47 -46.65 76.83 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.79 60.58 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -63.79 1.04 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.39 -36.47 1.94 Allowed 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.952 0.782 . . . . 0.0 111.362 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.57 -67.28 2.26 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 106.543 -2.623 . . . . 0.0 106.543 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.58 -50.81 16.84 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.402 0.707 . . . . 0.0 111.235 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.98 22.07 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 122.46 0.304 . . . . 0.0 111.174 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.34 -41.91 69.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.77 -42.2 78.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.492 177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.48 -44.65 62.53 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.681 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -70.23 -36.51 74.58 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.425 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.25 -67.95 1.95 Allowed Glycine 0 CA--C 1.525 0.662 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.17 97.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -53.85 -37.34 63.54 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 117.289 0.544 . . . . 0.0 110.137 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -71.41 -41.13 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.09 -53.23 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.67 -48.15 80.31 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.73 68.3 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -59.39 -51.48 69.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.51 -51.8 52.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.412 0.445 . . . . 0.0 110.507 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.32 174.31 11.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.92 21.81 44.08 Favored Glycine 0 C--N 1.339 0.702 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -78.32 61.84 2.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.784 0.292 . . . . 0.0 110.606 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.71 -27.24 70.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.26 -63.27 1.14 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -69.71 -9.63 55.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.0 -31.5 39.73 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.99 -41.26 23.08 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 107.423 -2.271 . . . . 0.0 107.423 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.87 77.62 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.49 -47.1 83.15 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.09 -29.68 70.48 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 122.367 0.267 . . . . 0.0 110.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.33 -31.76 65.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.681 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -66.4 -27.61 67.98 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.79 -50.75 45.61 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -73.5 -24.05 75.74 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.8 -58.16 5.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.45 -48.89 79.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.17 -43.2 78.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -53.57 -47.02 70.47 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.06 -50.73 70.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -59.35 -39.11 82.15 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.05 -39.08 63.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.09 -46.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.675 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.09 -51.43 21.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.76 -44.77 63.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.477 0.486 . . . . 0.0 110.922 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -28.51 68.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -37.92 88.4 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.16 -45.04 71.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.05 -25.6 61.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.05 -36.06 36.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.7 -25.13 61.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -73.29 -69.09 0.44 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.85 -32.77 67.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.78 -28.63 64.65 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.58 -38.91 68.39 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.024 -2.031 . . . . 0.0 108.024 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.14 -52.11 66.74 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.31 -49.91 41.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 112.839 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.12 -61.29 2.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.278 0.231 . . . . 0.0 111.343 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.67 -27.23 38.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -79.01 -37.03 40.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.215 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.32 -38.87 71.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.425 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.14 -45.2 41.62 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.484 -1.846 . . . . 0.0 108.484 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.51 -42.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.85 72.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.65 -33.98 77.15 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -99.11 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.85 -96.8 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.01 51.39 0.6 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.63 -133.94 0.33 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 124.435 1.084 . . . . 0.0 112.176 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -66.06 -38.9 89.51 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.975 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.88 29.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.6 -55.28 20.15 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.372 -0.347 . . . . 0.0 111.253 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.29 -52.01 48.99 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.278 0.361 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.54 -37.96 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.002 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.95 -43.37 92.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -51.19 -46.14 62.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.225 0.953 . . . . 0.0 109.698 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.89 71.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.48 -38.22 86.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.9 -62.62 1.54 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.26 -47.81 4.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 124.165 0.915 . . . . 0.0 111.939 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.36 -43.97 68.2 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.823 0.344 . . . . 0.0 110.083 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -69.7 -36.78 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.26 -54.31 22.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.713 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.39 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.84 -35.7 24.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 123.483 0.489 . . . . 0.0 109.984 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.09 -54.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.58 -39.65 68.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.0 -48.8 75.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.03 62.38 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.14 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.13 14.2 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 123.498 0.499 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.88 -70.92 0.78 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.773 -2.131 . . . . 0.0 107.773 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.05 -44.28 31.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.382 0.695 . . . . 0.0 110.589 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.58 64.13 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 110.732 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.35 -44.41 72.11 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.33 -41.14 92.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.79 -44.46 48.97 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.72 -34.86 62.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.846 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.68 -65.62 3.31 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 114.097 -1.41 . . . . 0.0 110.839 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.35 83.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.46 91.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.326 0.563 . . . . 0.0 109.888 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.21 -45.53 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -61.95 -39.77 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.54 72.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.08 93.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.567 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.26 -53.86 52.21 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -65.03 -51.2 62.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.86 -18.97 5.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.4 14.61 82.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -82.96 86.18 7.02 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.88 -25.64 53.16 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.84 35.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -71.12 -34.81 71.41 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.05 -25.92 39.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.594 0.358 . . . . 0.0 110.599 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.75 -50.79 6.81 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.91 -37.78 82.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.38 -56.66 14.53 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.557 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -55.97 -30.9 62.45 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.073 0.549 . . . . 0.0 112.214 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.87 -33.23 63.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -57.61 -44.45 85.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.502 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.23 -26.84 61.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.883 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.71 11.05 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.27 -23.12 74.7 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -57.97 7.0 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.19 -46.99 75.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.58 -53.87 51.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.23 68.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.422 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.62 -45.94 70.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 123.172 0.295 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.71 -40.09 66.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.473 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.731 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.43 -47.24 57.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.71 -34.09 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.54 -50.75 16.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.34 -43.88 64.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.429 0.456 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.2 -42.84 99.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.61 -28.44 67.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.98 -38.74 89.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.92 -45.27 82.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.3 -22.71 65.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.09 -43.16 22.25 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.35 -22.28 65.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -74.44 -66.15 0.77 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.8 -36.41 74.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.6 -39.18 56.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.13 -42.27 96.59 Favored Glycine 0 C--N 1.335 0.505 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -50.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.88 -50.2 46.71 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.137 0.575 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.6 -61.72 2.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.361 0.264 . . . . 0.0 111.369 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.26 46.6 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 123.787 0.68 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -69.21 -39.81 78.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.492 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.78 -46.64 52.24 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.52 -49.66 18.41 Favored Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -55.25 -51.89 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HA3' ' A' ' 108' ' ' GLY . . . -61.48 -28.6 69.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.09 -31.19 55.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -114.59 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -89.61 -166.43 1.59 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.34 81.33 1.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.022 0.826 . . . . 0.0 111.525 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.69 -88.11 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -68.9 -40.98 78.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.17 34.7 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.089 ' HB1' ' HB1' ' A' ' 99' ' ' ALA . . . -51.44 -44.41 62.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 122.618 0.367 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.57 -46.53 80.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -58.96 -40.28 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.693 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.17 -43.22 87.52 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 105.647 -1.982 . . . . 0.0 105.647 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.39 -46.08 62.72 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.231 0.957 . . . . 0.0 110.026 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.49 72.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -46.19 91.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -49.58 -64.69 0.73 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.167 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.54 -46.19 4.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 124.646 1.216 . . . . 0.0 111.926 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.86 -39.6 65.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.07 -39.91 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.241 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.94 -51.59 67.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.748 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.449 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -52.69 -25.9 12.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.773 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.7 -54.62 40.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.22 -41.95 76.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.48 -48.47 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.88 65.14 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.25 -63.75 1.05 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.71 -34.94 8.92 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.77 0.669 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.13 -69.56 1.2 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.652 -2.179 . . . . 0.0 107.652 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.01 -48.58 43.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.031 -0.584 . . . . 0.0 111.34 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.53 67.0 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.063 0.459 . . . . 0.0 110.437 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.1 -49.52 63.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.374 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.32 -39.31 82.72 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.237 -0.411 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -49.27 -48.03 46.27 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.364 0.602 . . . . 0.0 109.417 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -34.6 63.36 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.468 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -50.96 -67.92 1.72 Allowed Glycine 0 CA--C 1.534 1.254 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.534 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.14 60.41 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -64.01 -37.81 88.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.462 0.631 . . . . 0.0 109.43 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.69 -45.02 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.0 -38.7 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.09 -51.53 69.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.33 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -73.04 -36.53 66.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 1.089 ' HB1' ' HB1' ' A' ' 36' ' ' ALA . . . -62.61 -55.05 30.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.114 0.166 . . . . 0.0 110.807 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -71.37 -70.25 0.33 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.741 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.05 84.07 5.84 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.355 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 49.74 -169.5 0.19 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.719 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 59.35 47.99 10.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 122.403 0.281 . . . . 0.0 111.267 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.23 -27.09 74.07 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.27 -50.73 17.74 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.35 -16.35 64.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.479 ' O ' ' HB3' ' A' ' 110' ' ' ALA . . . -69.95 -68.53 0.41 Allowed 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.504 ' HA3' ' HB1' ' A' ' 28' ' ' ALA . . . -50.45 -39.69 37.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.63 98.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 107' ' ' PHE . . . -61.29 -42.96 99.53 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.876 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -69.14 -19.75 64.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 122.878 0.471 . . . . 0.0 110.931 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -77.84 -34.72 51.72 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.02 -43.2 86.58 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.8 -27.89 64.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 -49.24 49.1 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -77.41 -21.86 71.74 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.13 -56.0 7.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.55 -48.7 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.67 -54.0 47.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -51.58 -44.53 62.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.348 0.405 . . . . 0.0 110.35 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.38 -56.62 18.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -56.85 -41.47 77.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 O-C-N 123.206 0.317 . . . . 0.0 110.157 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -72.23 -48.46 42.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.91 -42.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.68 -50.6 34.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -49.48 -48.05 48.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.667 0.604 . . . . 0.0 111.298 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.19 -42.14 98.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -31.12 68.73 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.4 93.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.64 -41.61 98.22 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.102 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.25 -27.03 68.71 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.9 -34.91 62.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.11 -38.36 75.6 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -60.46 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.79 -32.01 67.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.54 -77.78 0.15 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 108.501 -1.84 . . . . 0.0 108.501 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.97 -42.38 2.23 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.614 1.102 . . . . 0.0 115.198 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.7 -51.54 69.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.665 1.733 . . . . 0.0 108.253 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.4 -48.9 71.05 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.137 0.575 . . . . 0.0 111.993 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.47 -57.77 10.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -18.36 21.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -80.47 -47.79 13.8 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.51 -30.3 68.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.49 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.1 -48.66 6.36 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 31' ' ' PHE . . . -62.31 -35.82 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -42.11 87.15 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.717 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -76.07 0.14 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.92 66.48 9.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 27' ' ' VAL . . . -47.66 151.56 0.83 Allowed 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.726 0.641 . . . . 0.0 111.564 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -160.61 -7.56 0.05 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.447 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 77.02 -51.93 0.56 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.94 0.496 . . . . 0.0 110.282 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.62 -48.9 77.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.008 0.123 . . . . 0.0 110.693 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.6 80.09 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.47 68.5 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -50.5 -48.06 57.05 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.328 0.392 . . . . 0.0 111.051 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.35 -28.81 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -68.99 -45.05 71.58 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.06 -41.55 68.27 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.28 -51.56 67.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.33 -36.77 78.73 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.03 -65.92 0.49 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.66 -46.73 2.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.297 1.039 . . . . 0.0 112.799 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.74 -38.82 72.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -71.35 -40.35 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.03 -49.32 51.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.806 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 178.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -34.21 2.89 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.095 0.872 . . . . 0.0 111.288 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.01 -55.39 14.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.628 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.25 -48.14 74.39 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.68 -48.2 75.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.3 -39.53 65.11 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.46 -66.67 0.35 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.163 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.0 -35.72 3.06 Favored 'General case' 0 C--N 1.341 0.202 0 O-C-N 124.1 0.875 . . . . 0.0 110.739 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.14 -68.93 1.37 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.72 -46.03 40.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.164 0.567 . . . . 0.0 111.019 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.59 49.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.193 0.308 . . . . 0.0 111.009 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.74 -38.34 69.66 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.25 99.21 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 123.731 0.644 . . . . 0.0 110.412 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.28 -43.01 53.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.593 0.711 . . . . 0.0 109.307 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.58 -36.09 63.02 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.359 -1.292 . . . . 0.0 109.68 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.13 -65.09 3.61 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 114.0 -1.455 . . . . 0.0 109.958 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.5 92.84 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -57.41 -39.08 75.4 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 117.217 0.508 . . . . 0.0 109.961 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.98 -41.87 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.51 -48.85 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.14 79.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -59.81 -37.25 78.62 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -53.17 -50.45 64.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.779 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.39 162.38 1.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 57.56 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 119.735 -0.174 . . . . 0.0 110.729 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.779 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -100.53 -100.2 2.36 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . -153.1 127.88 9.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.108 0.48 . . . . 0.0 111.418 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.04 -15.66 58.69 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -29.05 35.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.97 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.25 -36.19 66.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.576 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -80.05 -26.54 39.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.59 -48.97 6.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.22 -35.2 66.26 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.97 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.76 -54.1 40.61 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.715 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.73 -27.02 67.61 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.75 0.42 . . . . 0.0 111.47 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.97 -31.58 61.49 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.55 -41.67 90.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.491 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.64 -27.8 61.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.09 -53.55 36.16 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.89 -20.08 74.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.11 -59.8 2.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.07 -45.81 93.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.76 -44.84 82.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.39 74.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.77 -52.36 65.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.381 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -65.42 -61.45 2.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 O-C-N 123.679 0.612 . . . . 0.0 110.603 179.676 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.31 -51.08 26.35 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.77 -36.43 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.94 -50.48 19.85 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.48 -42.2 64.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.5 0.5 . . . . 0.0 110.277 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.15 94.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.1 -28.0 67.48 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.0 -37.63 88.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -45.16 66.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.16 -24.05 57.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.65 -38.58 33.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -23.46 62.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.7 -68.63 0.46 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.38 -30.88 65.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.35 69.13 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.42 -40.35 97.68 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.438 ' CB ' ' CB ' ' A' ' 42' ' ' LYS . . . -57.88 -51.86 67.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.82 -49.13 40.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.202 0.601 . . . . 0.0 111.893 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -66.71 -62.97 1.17 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.619 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -32.84 36.13 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 123.551 0.532 . . . . 0.0 109.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.419 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -74.65 -42.38 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.751 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -64.76 -44.31 90.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.13 -48.07 21.31 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.15 -51.14 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.98 63.78 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -67.84 -37.25 81.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.61 -100.59 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.84 -123.46 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -87.25 -160.88 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.72 0.408 . . . . 0.0 110.062 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 51.44 -69.03 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.499 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -46.34 -61.51 1.76 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -53.86 -65.39 0.58 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.2 -70.22 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.7 -61.77 1.93 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.521 0.329 . . . . 0.0 111.733 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.07 -50.49 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 122.878 0.471 . . . . 0.0 112.173 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.97 -42.67 99.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.914 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -48.77 -56.95 7.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -56.46 21.97 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' CB ' ' CB ' ' A' ' 20' ' ' SER . . . -61.89 -52.44 64.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.378 -0.201 . . . . 0.0 111.371 -177.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -49.56 -57.14 7.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.33 0.652 . . . . 0.0 109.843 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.93 -45.0 10.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.411 0.444 . . . . 0.0 110.281 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' LEU . . . -57.88 -43.35 85.98 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -52.98 -35.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -66.61 107.05 1.97 Allowed 'General case' 0 CA--C 1.512 -0.487 1 N-CA-C 93.643 -6.429 . . . . 0.0 93.643 170.296 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.852 0 CA-C-N 119.39 0.995 . . . . 0.0 113.681 -165.651 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.135 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.89 -42.57 17.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 123.579 0.55 . . . . 0.0 111.723 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.73 -60.95 2.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.588 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.65 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -50.83 -42.65 58.65 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 123.692 0.62 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.12 -47.39 78.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.65 -37.03 74.07 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.38 -62.45 1.65 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.605 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -52.34 -39.68 60.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.28 -63.03 4.29 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 107.136 -2.386 . . . . 0.0 107.136 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -51.3 -40.93 60.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.489 -0.856 . . . . 0.0 109.497 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -53.58 -53.54 50.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 123.311 0.382 . . . . 0.0 111.184 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -55.35 -40.57 71.41 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.89 -41.13 86.41 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.99 -39.12 54.9 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.774 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.56 -35.38 67.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.614 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.01 -69.59 1.12 Allowed Glycine 0 CA--C 1.526 0.761 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.871 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.83 91.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.0 67.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.849 0.824 . . . . 0.0 110.396 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -62.73 -37.03 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -54.18 -52.03 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.71 74.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.333 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.99 -40.82 67.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.914 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -53.85 -53.51 51.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -72.71 -45.12 60.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . . . -57.75 -35.77 71.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.113 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 75.76 -162.97 53.32 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 72.88 125.13 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.553 0.341 . . . . 0.0 110.631 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.16 -13.2 83.18 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.03 -55.42 4.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.21 65.92 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -66.6 -66.86 0.5 Allowed 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.26 -37.82 25.11 Favored Glycine 0 C--N 1.337 0.636 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.42 94.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 107' ' ' PHE . . . -60.49 -52.03 66.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.657 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.419 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -61.93 -21.11 64.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.18 -37.02 34.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.07 -41.75 75.59 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.774 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.64 -28.42 61.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.07 -43.56 71.67 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.38 -25.33 59.29 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.75 -43.94 91.71 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.71 -47.44 39.47 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.601 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.88 -52.22 65.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.33 77.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.76 -45.84 70.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.244 0.34 . . . . 0.0 110.089 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.26 -70.92 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 O-C-N 123.248 0.343 . . . . 0.0 110.209 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.45 -54.55 16.25 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.28 -36.03 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.56 -50.67 34.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.75 -47.5 59.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.562 0.539 . . . . 0.0 111.163 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.61 -42.53 97.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.07 -31.67 69.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.16 -37.91 89.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.66 -44.84 92.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.117 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.89 -28.8 67.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -70.9 -40.06 72.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.07 -38.84 92.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -56.98 -64.71 0.79 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.17 -33.32 65.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.0 -74.48 0.33 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.79 -42.81 2.21 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.504 1.049 . . . . 0.0 114.421 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.86 -51.62 68.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.928 1.364 . . . . 0.0 108.01 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.57 -48.34 77.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.181 0.592 . . . . 0.0 112.521 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.54 -58.22 8.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.835 0.35 . . . . 0.0 110.299 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -20.72 59.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.979 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.12 -42.79 22.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.232 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.95 -31.9 56.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.546 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.23 4.67 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.929 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -56.55 -47.98 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.57 -37.08 85.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.019 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.15 -30.77 58.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.791 0.269 . . . . 0.0 110.508 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -121.72 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.93 -155.28 0.27 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -146.33 -171.65 3.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.976 0.797 . . . . 0.0 110.553 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 70.74 -85.31 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.672 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.23 -53.86 49.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.929 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -54.9 -49.74 70.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 122.301 0.24 . . . . 0.0 110.806 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.38 63.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.373 0.421 . . . . 0.0 109.935 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.89 -48.88 66.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.225 0.328 . . . . 0.0 110.437 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -38.24 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.534 0.206 . . . . 0.0 111.044 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.89 -42.13 97.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.04 -45.5 64.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.009 0.818 . . . . 0.0 109.563 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.02 38.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.34 -33.59 72.63 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.6 -60.36 3.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.88 -40.9 2.26 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.774 1.296 . . . . 0.0 110.078 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -62.35 -50.34 71.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.94 -44.7 95.06 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -79.06 70.74 5.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 103.369 -2.826 . . . . 0.0 103.369 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 -175.673 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.317 0.103 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.37 -45.47 17.77 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.973 0.509 . . . . 0.0 111.877 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.96 -56.36 17.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.699 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -53.27 -31.34 43.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.63 -57.87 11.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.37 -6.4 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -80.57 -74.27 0.32 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.23 -37.39 10.34 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 123.864 0.728 . . . . 0.0 110.462 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.9 -63.68 4.79 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.849 -2.9 . . . . 0.0 105.849 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.37 -47.68 18.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 124.606 0.827 . . . . 0.0 110.89 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.48 -55.1 28.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.379 0.272 . . . . 0.0 111.505 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.6 -44.65 73.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.55 -42.2 78.12 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.62 -44.13 57.11 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.551 0.691 . . . . 0.0 109.165 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -71.65 -36.89 70.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.507 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.34 -67.14 2.37 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.531 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.92 98.21 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.38 -38.61 66.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.215 0.508 . . . . 0.0 110.177 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.27 -41.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.24 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.06 -57.39 13.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.15 63.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.48 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.99 -52.2 66.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.32 -41.47 62.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.95 -104.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.25 36.7 0.02 OUTLIER Glycine 0 C--N 1.336 0.572 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -101.12 90.86 4.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.668 0.787 . . . . 0.0 110.006 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.1 -25.59 57.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.85 36.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.54 -34.91 65.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.01 -28.17 39.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.87 -46.65 10.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.87 70.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.57 -53.14 56.42 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.46 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.3 -28.99 68.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.354 0.262 . . . . 0.0 111.037 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.01 -32.95 65.46 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.84 -45.24 95.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.638 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.65 -28.02 67.36 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.12 52.61 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 108.859 -1.697 . . . . 0.0 108.859 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.6 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -55.48 -65.89 3.23 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -47.44 -64.76 0.7 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.879 0.339 . . . . 0.0 111.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -57.45 -70.57 0.12 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.29 -67.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -48.27 -39.85 22.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -58.62 -50.47 73.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -63.84 -45.91 87.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 C-N-CA 123.353 0.661 . . . . 0.0 112.183 -179.431 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.14 -51.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.94 -40.83 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.511 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -50.36 35.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.61 -47.57 66.87 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 123.446 0.466 . . . . 0.0 110.714 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.34 -39.16 92.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.2 -28.42 67.96 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -67.05 -39.48 86.92 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.28 -45.36 91.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.76 -28.06 67.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.63 -31.31 61.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.9 -36.8 75.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.05 -65.11 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.39 -34.99 67.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.97 -73.72 0.41 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.81 -41.79 1.95 Allowed Glycine 0 C--N 1.338 0.692 0 C-N-CA 124.332 0.968 . . . . 0.0 114.476 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.12 -55.81 29.36 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 118.959 1.38 . . . . 0.0 108.384 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.28 -48.06 46.32 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.601 0.761 . . . . 0.0 113.007 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.21 -57.48 6.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.71 -29.25 67.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.2 -28.03 38.73 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.699 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.19 -61.25 1.96 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.064 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -38.96 96.73 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.648 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -65.22 -36.24 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -71.75 -40.23 69.49 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.55 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -79.99 -26.45 39.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.19 -117.7 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -92.48 -156.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.68 77.61 0.98 Allowed 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.533 0.521 . . . . 0.0 110.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.72 -91.97 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.65 -53.56 55.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.648 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -55.41 -48.98 73.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.616 0.189 . . . . 0.0 110.816 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.36 56.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.452 0.47 . . . . 0.0 110.052 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.72 -49.61 62.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 123.326 0.391 . . . . 0.0 110.64 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.75 -35.98 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.546 0.212 . . . . 0.0 111.071 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.47 -42.85 95.67 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.691 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -52.18 -45.11 64.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.074 0.859 . . . . 0.0 109.185 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.6 -54.26 43.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.53 -32.96 73.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.01 -60.61 3.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.66 -44.21 3.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 124.643 1.215 . . . . 0.0 110.144 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.93 -46.14 74.91 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 177.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.3 -37.03 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.36 5.91 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 102.505 -3.146 . . . . 0.0 102.505 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -172.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.8 -39.61 5.43 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 123.779 0.674 . . . . 0.0 111.704 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.666 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.68 -45.58 89.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.46 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.46 -52.27 65.33 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.46 -38.36 34.59 Favored Glycine 0 C--N 1.339 0.703 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -64.72 0.74 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -41.31 -36.1 0.75 Allowed 'General case' 0 C--N 1.34 0.191 0 O-C-N 124.49 1.119 . . . . 0.0 111.338 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.88 -69.38 1.28 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.12 -49.43 16.67 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 124.749 0.911 . . . . 0.0 110.995 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.97 -54.81 29.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.528 0.331 . . . . 0.0 111.417 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.38 -44.6 72.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.05 -42.45 85.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.283 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 94' ' ' ALA . . . -51.42 -49.1 62.31 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.309 0.576 . . . . 0.0 110.309 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -72.08 -34.52 68.75 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.014 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.93 -67.55 2.15 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.04 91.4 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.839 -0.505 . . . . 0.0 111.839 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -67.24 -34.7 78.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 117.649 0.725 . . . . 0.0 110.219 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.574 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -67.27 -43.36 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -66.86 -37.84 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -53.77 42.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -64.23 -31.42 72.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.691 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.12 1.78 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.15 -38.96 42.47 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -77.8 -146.05 2.6 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.06 -178.26 4.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.986 0.914 . . . . 0.0 109.104 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.52 -19.16 74.36 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.08 35.63 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -74.87 -34.48 62.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.836 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -79.14 -26.62 42.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.64 -44.75 11.96 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.09 63.99 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.34 77.32 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -59.74 -32.83 70.92 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 122.772 0.429 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.31 -27.27 62.33 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.91 -43.69 98.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -71.68 -25.45 62.11 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.909 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.53 -54.9 17.05 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.577 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -75.34 -21.78 77.07 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.3 -60.43 2.99 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.65 -47.54 80.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.31 -40.52 78.05 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -57.92 -45.47 86.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.57 -45.94 77.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -66.62 -63.34 1.09 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 O-C-N 123.4 0.438 . . . . 0.0 110.725 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.14 -48.91 49.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.08 -40.93 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.257 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -51.43 26.2 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.47 -45.24 56.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.647 0.592 . . . . 0.0 110.87 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.79 -44.78 96.38 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -30.59 68.31 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -38.17 89.1 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.3 -43.33 77.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.189 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.9 -40.57 46.88 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.99 -30.62 70.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.79 -67.43 0.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.08 -30.55 66.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.74 -24.82 76.63 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -40.64 25.56 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.684 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.06 -49.67 76.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.31 -45.81 83.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.475 0.71 . . . . 0.0 112.675 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.98 -64.28 0.89 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.775 0.321 . . . . 0.0 110.618 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -18.6 11.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.684 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.22 -48.1 13.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.85 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.87 -28.81 65.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.405 0.282 . . . . 0.0 111.41 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.17 -49.52 5.89 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.98 -47.11 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.06 96.78 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.56 -24.59 49.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.13 -138.3 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.03 101.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -177.04 -92.13 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 166.05 -37.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.39 -48.1 81.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.301 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.96 -52.32 66.0 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 122.051 0.14 . . . . 0.0 110.735 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -51.34 39.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.427 0.455 . . . . 0.0 110.666 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.626 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.6 -47.93 66.6 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 123.314 0.384 . . . . 0.0 109.975 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.51 -39.36 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.13 -42.31 99.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.04 -45.85 61.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.05 0.844 . . . . 0.0 109.598 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -49.71 68.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.59 -35.52 76.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.49 -56.14 23.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.87 -47.77 4.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.382 1.051 . . . . 0.0 110.781 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -53.38 -46.16 69.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.817 0.28 . . . . 0.0 110.857 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -64.61 -43.36 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.98 66.57 2.84 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 101.757 -3.423 . . . . 0.0 101.757 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.23 -42.05 6.27 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.239 0.472 . . . . 0.0 112.098 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.4 -62.29 1.46 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.09 -45.3 64.78 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.1 -50.19 71.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.99 -38.87 56.18 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.08 -66.15 0.45 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.96 -35.8 3.06 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 123.921 0.763 . . . . 0.0 111.224 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.67 -74.51 0.31 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.34 -46.26 12.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 124.249 0.617 . . . . 0.0 111.222 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.67 71.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.66 -47.79 70.04 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -62.14 -35.05 77.58 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.986 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.85 -49.73 65.2 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.7 -37.22 62.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.366 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.2 -64.38 4.06 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.35 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.04 67.44 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 123.207 0.432 . . . . 0.0 112.21 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.31 -32.24 72.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 117.556 0.678 . . . . 0.0 109.935 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.9 -46.02 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -72.25 -38.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.82 -54.97 41.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.662 ' HB1' ' CB ' ' A' ' 106' ' ' ALA . . . -66.84 -56.91 8.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.615 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -51.28 -49.86 60.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.509 0.324 . . . . 0.0 111.736 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -65.08 -51.59 60.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.47 12.95 0.1 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.28 102.68 0.67 Allowed Glycine 0 C--N 1.337 0.634 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.61 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . 171.41 67.73 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.43 58.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 -32.68 35.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.662 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -71.14 -33.13 69.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.615 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -65.45 -66.32 0.56 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.75 62.63 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.029 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.1 -59.54 2.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.938 0.369 . . . . 0.0 111.585 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.527 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -59.55 -48.52 81.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 109.875 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.41 -22.6 66.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.0 -34.64 64.26 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.52 -43.9 96.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.534 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -67.35 -28.03 67.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 -55.34 16.52 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.12 -20.1 76.19 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.23 -60.34 2.28 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.0 -46.82 82.83 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.22 -59.47 4.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.89 -61.24 1.82 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 123.573 0.546 . . . . 0.0 111.831 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.0 -61.07 2.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -52.9 -56.96 12.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 123.17 0.588 . . . . 0.0 111.909 -179.148 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.79 -32.03 46.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -65.73 -52.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.797 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.8 -50.73 40.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.77 -49.16 58.87 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 123.647 0.592 . . . . 0.0 111.026 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.66 -39.59 88.93 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.3 -32.1 70.9 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.37 -39.33 94.24 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.16 -41.19 99.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.833 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -63.31 -27.44 69.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.66 -39.46 67.1 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.17 -38.16 89.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.27 -64.22 1.02 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.4 -31.45 63.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.67 -75.2 0.29 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.53 -42.53 1.95 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 124.26 0.933 . . . . 0.0 114.67 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -61.69 -54.72 38.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.656 1.728 . . . . 0.0 108.823 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.5 -52.64 21.45 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.594 0.758 . . . . 0.0 113.009 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.91 -52.75 58.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.39 -26.25 66.36 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.048 0.451 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.435 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.16 -35.32 36.7 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.6 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.57 -59.04 3.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.238 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.78 97.12 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.139 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.46 -33.86 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 118.105 0.952 . . . . 0.0 108.957 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.97 64.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.56 -15.99 55.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.572 0.349 . . . . 0.0 110.202 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -140.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.421 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 178.17 60.45 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -143.33 -99.4 0.12 Allowed 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 123.919 0.762 . . . . 0.0 109.06 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 170.73 -37.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.93 -55.13 29.79 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.565 0.346 . . . . 0.0 111.761 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.73 65.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.303 0.241 . . . . 0.0 111.289 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.39 -55.51 12.75 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.447 0.467 . . . . 0.0 110.889 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.08 -52.34 44.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.246 0.341 . . . . 0.0 111.174 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -62.05 -37.09 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 120.58 0.228 . . . . 0.0 111.085 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.83 -44.35 93.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -50.57 -44.44 56.75 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.037 0.835 . . . . 0.0 109.453 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -54.42 -51.3 65.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.96 -32.44 72.87 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.15 -57.56 11.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.98 -42.37 1.36 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 125.104 1.502 . . . . 0.0 109.295 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.88 -45.98 82.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.738 -0.602 . . . . 0.0 111.079 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.3 -44.48 83.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.57 84.65 3.25 Favored 'General case' 0 CA--C 1.514 -0.406 1 N-CA-C 98.263 -4.717 . . . . 0.0 98.263 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.735 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.55 -37.32 12.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.56 0.344 . . . . 0.0 111.815 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -64.91 -44.65 88.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.622 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -61.8 -45.12 95.21 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.57 -48.23 77.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -49.77 -41.14 34.95 Favored Glycine 0 C--N 1.339 0.701 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.96 -65.65 0.53 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.188 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.31 -36.07 0.31 Allowed 'General case' 0 C--N 1.342 0.271 0 O-C-N 125.084 1.49 . . . . 0.0 110.383 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.74 -72.19 0.64 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 106.259 -2.737 . . . . 0.0 106.259 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.6 -54.79 3.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 112.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.62 -53.54 45.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -38.86 74.31 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.86 -41.74 92.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.361 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.38 -57.25 13.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.282 0.233 . . . . 0.0 110.891 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 110' ' ' ALA . . . -68.29 -32.18 72.14 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.72 -65.96 3.13 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.94 -39.42 96.48 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -25.3 62.07 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 117.775 0.787 . . . . 0.0 110.564 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.404 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -73.85 -39.53 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -68.47 -33.27 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . -69.26 -46.01 68.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.824 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.788 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -77.49 -29.66 52.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.764 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -66.42 -49.2 67.54 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.75 -59.52 2.74 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 97' ' ' ALA . . . -75.02 158.13 33.73 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.603 0.239 . . . . 0.0 110.431 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -52.09 90.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.788 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 176.42 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.37 -23.04 57.42 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.92 -69.53 0.3 Allowed 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -62.96 -10.89 15.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . . . -77.99 -34.31 50.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.55 42.43 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 108.376 -1.889 . . . . 0.0 108.376 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.7 62.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.639 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.02 -50.33 62.44 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -71.01 -24.49 62.38 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -66.82 -45.29 78.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.33 -39.61 94.25 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.594 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -59.78 -40.66 89.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.22 -51.77 56.09 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -54.44 -69.42 1.25 Allowed Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.98 -67.45 0.28 Allowed 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.11 -68.08 0.36 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -50.49 -66.74 0.34 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.944 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -47.3 -52.74 15.43 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 123.685 0.616 . . . . 0.0 111.323 -178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.496 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . -37.76 -63.05 0.49 Allowed 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 114.515 -2.659 . . . . 0.0 105.163 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -60.77 -70.5 0.18 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 127.73 3.144 . . . . 0.0 111.903 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 102.88 -3.007 . . . . 0.0 102.88 173.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.425 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.41 -45.9 61.57 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.12 -39.16 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.88 -48.93 56.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.56 -44.45 69.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 123.476 0.485 . . . . 0.0 110.023 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.88 99.45 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.41 -29.26 68.86 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.57 -38.73 92.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.73 73.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -57.4 -27.37 62.3 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.45 -39.61 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.73 -27.85 67.95 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.35 -68.45 0.39 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.38 -31.74 67.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.75 71.84 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.36 -40.3 33.76 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.26 -51.36 69.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.56 -38.08 71.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.893 0.477 . . . . 0.0 110.721 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.97 -66.38 0.55 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.352 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -54.7 -22.71 14.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.927 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.683 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.21 -43.74 20.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.92 -32.82 65.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.81 4.73 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 108.546 -1.822 . . . . 0.0 108.546 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -59.44 -45.75 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -58.72 -41.07 85.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.177 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -71.13 -30.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -136.48 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -173.58 78.74 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.75 -160.23 0.95 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.72 -26.69 0.73 Allowed 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.928 0.767 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -61.6 -45.85 92.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.44 81.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.34 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.76 58.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.266 0.354 . . . . 0.0 110.972 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -55.24 -47.63 75.1 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.98 -42.66 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.57 -42.04 98.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -50.99 -53.48 32.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.736 0.648 . . . . 0.0 110.523 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.32 -44.71 65.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.37 -48.25 82.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.58 -63.01 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.261 0.625 . . . . 0.0 112.005 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.847 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -49.43 -48.25 47.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.43 -52.16 42.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.44 -69.78 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.5 -40.93 98.36 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -175.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.847 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.501 ' C ' ' N ' ' A' ' 79' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.8 -13.77 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.184 0.927 . . . . 0.0 108.759 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 77' ' ' ASN . . . -74.19 -43.13 58.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -65.04 -49.89 68.34 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.96 -48.7 77.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.19 -39.41 42.32 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.55 -66.93 0.31 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.691 -0.671 . . . . 0.0 109.26 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.81 -34.92 0.29 Allowed 'General case' 0 C--N 1.343 0.311 0 O-C-N 124.526 1.141 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.2 -70.9 0.84 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 106.375 -2.69 . . . . 0.0 106.375 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.64 -52.34 8.27 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.373 0.69 . . . . 0.0 111.724 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.08 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.424 0.289 . . . . 0.0 110.823 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.92 -49.15 66.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.2 -33.63 72.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.365 0.266 . . . . 0.0 111.062 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.41 -53.81 53.91 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.725 0.693 . . . . 0.0 110.229 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.533 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -72.0 -35.23 69.41 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.706 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.88 -61.8 6.95 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.78 93.38 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.5 -29.78 66.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 117.791 0.796 . . . . 0.0 109.07 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -66.03 -44.7 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.567 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . . . -63.94 -33.6 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.1 96.76 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 106' ' ' ALA . . . -66.31 -36.32 82.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 37' ' ' LYS . . . -58.67 -52.84 63.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.35 -49.84 73.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -14.97 14.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.344 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.97 20.83 72.45 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.629 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -87.56 89.18 7.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.74 -29.69 67.75 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.5 -29.24 37.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.848 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . . . -76.89 -29.49 55.8 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -67.92 -63.8 0.99 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -58.37 -30.66 65.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.96 -58.51 3.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.828 0.314 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -63.44 -48.22 78.64 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.18 -25.79 67.88 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.579 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -71.82 -35.73 70.02 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.55 -43.63 98.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.533 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -64.05 -29.65 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.58 11.83 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -67.08 -19.47 70.05 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.85 -65.0 0.82 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.82 -49.1 77.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.953 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.68 -68.06 0.21 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.253 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -52.16 -29.52 22.53 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 123.131 0.269 . . . . 0.0 111.445 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -62.87 -48.92 76.92 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.37 -41.8 60.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.399 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 123.288 0.635 . . . . 0.0 111.529 -179.598 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.61 -51.32 28.95 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.57 -42.44 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.391 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.07 -51.46 31.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.38 -46.91 62.97 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 123.63 0.581 . . . . 0.0 110.9 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.41 -41.91 97.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -29.85 67.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.47 -38.55 90.13 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -66.04 -46.81 76.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.177 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.49 -28.54 65.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.67 -41.01 65.84 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -63.01 -34.46 77.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.23 -65.8 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.92 -38.34 70.13 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.55 -21.8 74.74 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.55 -40.26 27.89 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.36 -49.52 76.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.28 -53.21 37.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.4 0.68 . . . . 0.0 112.524 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.39 -57.03 14.5 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.855 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -22.3 59.79 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.778 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.31 -42.54 22.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.819 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.04 -36.87 64.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.613 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.35 -50.23 6.83 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -60.58 -33.66 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -64.07 -41.79 97.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -73.61 -26.49 60.82 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -143.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.164 0.186 . . . . 0.0 111.373 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -135.81 -61.12 0.72 Allowed 'General case' 0 C--N 1.34 0.192 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -48.93 174.93 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.072 0.549 . . . . 0.0 111.908 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 103' ' ' ASP . . . -116.71 -4.78 11.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.967 0.907 . . . . 0.0 110.21 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -57.14 -48.18 79.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -62.26 -52.17 64.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB2' ' HA2' ' A' ' 104' ' ' GLY . . . -49.59 -53.91 21.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.84 0.456 . . . . 0.0 111.113 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.85 -45.37 70.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -34.45 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.0 -44.72 79.62 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.59 -45.66 66.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.015 0.822 . . . . 0.0 109.374 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.1 66.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.47 -36.26 81.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.51 -66.11 0.47 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.86 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -41.32 -40.92 1.8 Allowed 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 124.62 1.2 . . . . 0.0 110.214 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -55.5 -42.08 73.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.642 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.55 -45.55 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.522 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -70.47 -29.89 66.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.86 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.611 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.68 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.13 -30.71 2.02 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.155 0.909 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.99 -53.75 34.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.9 -49.32 78.24 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.32 -55.72 25.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.37 -37.66 40.11 Favored Glycine 0 C--N 1.337 0.602 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -65.31 0.59 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.45 -36.72 3.04 Favored 'General case' 0 C--O 1.226 -0.149 0 O-C-N 123.961 0.788 . . . . 0.0 111.183 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.26 -72.97 0.46 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -43.71 -46.3 7.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.631 0.842 . . . . 0.0 110.992 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.25 67.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.223 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.8 -52.25 42.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.44 -36.9 79.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.935 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.03 -52.95 37.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.999 0.428 . . . . 0.0 110.013 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.48 -34.46 63.11 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.417 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.19 -67.42 2.22 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.96 93.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.59 75.59 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.42 -45.0 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 122.933 0.493 . . . . 0.0 110.673 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -66.41 -35.17 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.42 22.35 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.372 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -71.59 -38.65 70.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.187 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.519 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -57.27 -56.01 27.35 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -54.33 -49.45 69.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.15 -18.26 50.23 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -111.08 -120.39 4.03 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.729 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . . . -179.83 -162.38 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.52 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -50.26 -30.92 18.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.7 -75.33 0.08 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.69 0.281 . . . . 0.0 111.399 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.37 94.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.488 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -64.21 -47.48 79.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.281 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.36 -34.9 82.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.98 -58.68 3.78 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.187 0.518 . . . . 0.0 109.791 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.28 -37.16 74.46 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.58 -29.2 68.5 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.053 0.541 . . . . 0.0 111.606 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.91 -30.8 61.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.79 -49.45 70.64 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -59.73 -36.71 77.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.04 -86.35 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.79 -33.29 0.39 Allowed Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.579 0.609 . . . . 0.0 113.706 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -61.93 -61.5 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 117.798 0.799 . . . . 0.0 109.433 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -58.72 -40.9 85.08 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.38 -41.65 94.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.33 88.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.8 -44.58 86.43 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.91 -71.14 0.09 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -76.18 -43.22 43.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.42 -41.08 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.11 -51.59 20.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.03 -45.52 61.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.558 0.537 . . . . 0.0 110.794 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.89 -44.08 97.59 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.46 -28.58 67.12 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.93 -38.5 91.18 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.48 -42.45 92.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.39 -26.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.82 -32.95 57.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -74.03 -27.86 61.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.34 -65.9 0.62 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -63.51 -28.41 69.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -32.74 62.55 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.85 -40.09 26.84 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.4 -53.32 59.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.35 -47.99 74.89 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.819 0.847 . . . . 0.0 113.285 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.73 -61.92 1.99 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.649 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -22.98 53.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.631 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -78.86 -47.64 16.17 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.298 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.45 -32.56 70.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.598 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.3 -54.29 3.83 Favored Glycine 0 C--N 1.336 0.554 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.19 -44.32 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -64.9 -35.01 79.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.611 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -78.59 -21.2 48.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.25 -136.78 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 179.18 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -176.19 -92.64 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.456 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 165.17 -35.69 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.61 -47.13 82.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.24 60.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.013 0.125 . . . . 0.0 110.734 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -52.47 34.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.367 0.417 . . . . 0.0 111.064 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.0 -46.33 61.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.371 0.419 . . . . 0.0 110.135 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -61.03 -35.67 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.56 -43.17 90.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.26 -41.56 60.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.011 0.819 . . . . 0.0 108.922 177.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -56.57 -52.22 65.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.98 -33.45 71.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -56.22 -63.48 1.17 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.45 -41.22 0.94 Allowed 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 125.205 1.565 . . . . 0.0 110.505 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -58.59 -45.75 88.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.104 -0.373 . . . . 0.0 110.488 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -69.04 -52.41 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -73.71 67.78 1.19 Allowed 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 100.593 -3.855 . . . . 0.0 100.593 176.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 -175.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 119.574 -0.25 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.4 -41.55 13.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 123.576 0.548 . . . . 0.0 112.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.94 -55.25 31.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.27 -42.55 70.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.274 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.65 -51.51 68.43 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.09 -38.37 47.68 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -64.74 0.73 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.29 -35.8 2.48 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 124.075 0.859 . . . . 0.0 111.227 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -69.88 1.11 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 107.293 -2.323 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.31 -46.01 17.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.724 0.896 . . . . 0.0 110.472 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.11 -53.51 49.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.131 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.94 -45.53 74.87 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.63 -43.21 89.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.391 0.432 . . . . 0.0 110.439 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.16 -46.04 53.81 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 123.808 0.693 . . . . 0.0 109.719 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -32.46 62.72 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.064 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.51 -66.23 2.99 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.896 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.24 -38.01 93.42 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.29 87.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 117.112 0.456 . . . . 0.0 110.048 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.31 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.43 -36.29 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.98 21.14 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -71.12 -48.35 52.64 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.683 0.278 . . . . 0.0 111.113 -178.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.47 57.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.72 -21.31 18.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . -64.7 -100.87 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.99 -62.96 1.93 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.428 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.38 -151.03 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 117.43 0.615 . . . . 0.0 111.54 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.1 -20.88 1.52 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.165 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -73.62 0.11 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.964 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.34 -37.83 75.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -58.46 -51.58 69.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.05 -41.28 94.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.13 -64.02 1.06 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.58 90.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.252 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.05 -17.69 64.85 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.333 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.93 -32.71 40.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.27 -42.84 92.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.444 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.91 -30.22 66.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.71 -54.37 31.78 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.77 -20.55 76.16 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.33 -63.62 1.24 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.77 -42.63 81.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.264 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.67 -61.13 2.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.156 0.182 . . . . 0.0 110.98 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.99 66.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.032 0.207 . . . . 0.0 110.515 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.18 -44.42 67.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -76.64 -56.53 4.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.109 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 C-N-CA 122.266 0.226 . . . . 0.0 110.814 -179.125 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.97 -49.08 40.36 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.59 -31.3 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.23 -52.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.92 -43.17 49.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.691 0.619 . . . . 0.0 110.803 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.4 -46.6 89.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.31 -30.42 68.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.48 -36.98 84.2 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.99 -41.76 73.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.35 -25.8 66.11 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.81 -42.51 33.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.67 -27.44 66.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.39 -67.02 0.48 Allowed 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.83 -28.42 67.46 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.81 -35.98 73.81 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.1 -40.33 83.17 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.72 -53.21 60.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.84 -48.83 63.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.52 -59.98 3.68 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.37 26.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.848 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -77.98 -47.27 18.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.628 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -66.27 -36.61 83.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.87 -49.38 7.77 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.486 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . . . -62.84 -52.62 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.07 84.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.685 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.01 -19.0 48.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.655 0.207 . . . . 0.0 110.558 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -140.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.5 106.16 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 173.7 -89.85 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 167.24 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.16 -44.85 90.82 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 27' ' ' VAL . . . -57.71 -53.57 56.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.79 -48.81 40.93 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.612 0.57 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.94 -47.1 68.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -54.75 -40.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.78 -41.76 98.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -50.99 -45.92 61.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.835 0.709 . . . . 0.0 110.219 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.5 -54.84 41.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.95 -34.86 72.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.07 -62.31 1.74 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.56 -42.77 1.2 Allowed 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 125.219 1.575 . . . . 0.0 110.827 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.6 -45.21 89.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.807 -0.558 . . . . 0.0 110.343 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.65 -42.36 83.2 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 123.006 0.522 . . . . 0.0 111.373 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.31 68.73 3.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 101.476 -3.527 . . . . 0.0 101.476 172.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.044 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.85 -172.602 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.84 -33.35 4.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 124.104 0.877 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.47 -60.1 2.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.656 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -53.61 -45.41 70.07 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.19 -44.83 79.8 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.95 -38.54 85.46 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.769 -1.733 . . . . 0.0 108.769 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -64.62 0.77 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.715 0.258 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -50.91 -38.5 50.33 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -63.92 3.88 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 106.83 -2.508 . . . . 0.0 106.83 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.67 -40.44 39.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.749 -0.725 . . . . 0.0 109.72 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -55.11 -53.49 55.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.156 0.503 . . . . 0.0 111.153 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.547 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.59 -39.43 73.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.29 -41.96 85.54 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.31 -36.97 45.06 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.225 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.768 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -75.8 -36.75 59.63 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.201 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.22 -66.49 2.59 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.012 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.04 -35.92 84.89 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.64 -45.78 73.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 117.107 0.454 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.81 -41.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.15 -50.48 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.94 88.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.949 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.94 -41.63 83.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.459 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -46.0 81.92 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.56 -46.53 70.28 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -106.56 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.47 -157.2 27.93 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 66.5 140.68 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.11 -7.63 88.35 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.71 -61.74 1.65 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.44 83.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -70.37 -20.94 62.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.85 -51.42 4.8 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.2 86.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.17 21.47 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.165 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.51 -24.97 65.73 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.57 -36.24 44.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.41 -45.42 80.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.768 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -69.73 -28.46 65.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.571 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.21 67.25 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.51 -25.8 67.04 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.96 -54.11 17.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.59 -49.04 70.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.65 -55.01 34.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.36 -41.28 60.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.358 0.411 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.54 -52.55 61.7 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -64.25 -43.66 94.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.22 -53.34 14.74 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.76 -39.26 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.89 -48.32 54.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.29 -45.99 62.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 123.674 0.609 . . . . 0.0 110.721 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.81 -42.79 98.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.35 -32.31 69.99 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.37 -38.48 87.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.05 -43.43 82.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.015 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.18 -24.99 65.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.32 -37.37 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -28.5 65.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.23 -67.34 0.47 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.49 -32.17 70.02 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.29 -23.05 78.18 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.26 22.43 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.02 -49.56 76.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.04 -45.47 79.18 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.58 0.752 . . . . 0.0 112.193 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.46 -61.43 2.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -20.81 18.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.504 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.616 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.46 -41.81 23.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.971 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.29 -33.44 61.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.0 -47.21 8.65 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 107.187 -2.365 . . . . 0.0 107.187 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.48 -37.56 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -58.71 -41.71 86.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.12 -73.81 0.23 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.2 62.1 4.05 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.166 0.586 . . . . 0.0 110.394 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -71.28 -175.66 1.29 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 175.22 -62.81 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.79 -48.78 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.58 -48.51 79.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.568 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.52 -54.02 51.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.05 0.14 . . . . 0.0 111.042 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.95 24.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.388 0.43 . . . . 0.0 111.338 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.35 -46.98 69.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.029 0.205 . . . . 0.0 110.658 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -38.17 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.628 0.251 . . . . 0.0 110.979 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.55 -44.27 82.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -52.98 -46.03 68.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 123.872 0.732 . . . . 0.0 109.91 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.43 71.05 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.65 -39.66 89.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -52.97 -67.19 0.27 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.291 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.9 -42.54 3.73 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 124.272 0.982 . . . . 0.0 111.816 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.0 -40.75 77.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -73.31 -45.74 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.96 -61.46 2.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.287 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.435 0 C-N-CA 122.94 0.496 . . . . 0.0 111.264 -178.396 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -50.64 -39.3 50.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.491 0.316 . . . . 0.0 110.359 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -58.96 -50.39 74.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.59 -37.78 68.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.413 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.15 -50.72 70.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.07 -38.96 48.67 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.04 -66.88 0.32 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 119.093 -0.48 . . . . 0.0 109.794 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -42.34 -36.24 1.21 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.248 0.968 . . . . 0.0 111.244 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.82 -72.04 0.62 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.03 -48.34 11.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.368 0.687 . . . . 0.0 111.426 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.16 -50.49 61.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.509 0.324 . . . . 0.0 110.604 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.21 -42.13 76.7 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.65 -42.04 91.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.192 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.73 -47.6 59.23 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.248 0.546 . . . . 0.0 109.601 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -71.06 -35.47 71.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.465 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.61 -67.84 2.0 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.889 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.78 -37.82 92.62 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.14 -35.29 79.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 117.496 0.648 . . . . 0.0 110.348 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.53 -44.07 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -60.99 -37.91 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.95 -50.3 73.04 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.81 71.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . . . -58.58 -52.46 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.32 -53.34 24.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.69 -23.19 16.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.73 16.3 80.26 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -81.69 87.32 6.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.05 -29.68 56.13 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.41 37.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.566 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -75.51 -40.55 56.92 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.757 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -77.96 -25.73 48.36 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.61 -46.76 11.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.11 71.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.36 60.43 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.91 -28.32 69.44 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.055 0.389 . . . . 0.0 111.152 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.42 -32.08 64.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.14 -42.64 98.91 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.402 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -72.2 -26.77 62.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.1 -56.05 18.18 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -75.08 -19.37 79.89 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.62 -64.75 0.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.16 -48.12 83.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.45 -49.46 72.42 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -55.04 -39.0 68.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.69 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.79 -54.82 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.143 0.177 . . . . 0.0 111.214 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.11 -56.41 8.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.87 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.25 -54.78 15.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.4 -35.77 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.262 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.22 -51.2 32.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.29 -46.58 46.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 123.787 0.679 . . . . 0.0 111.131 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.67 -44.79 96.06 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.89 -30.14 67.54 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.04 -38.62 91.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.57 -42.51 78.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.233 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.45 -26.1 66.5 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.22 -39.46 48.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.12 -29.75 68.74 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.87 -67.24 0.47 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.1 -31.65 69.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -21.94 78.76 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.4 -40.69 18.55 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.536 -1.825 . . . . 0.0 108.536 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.749 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.62 -47.53 84.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.39 -46.87 82.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.433 0.693 . . . . 0.0 112.483 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.73 -64.83 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 110.786 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.78 -20.21 14.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.749 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.24 -43.28 21.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.771 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.26 -33.46 67.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.142 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.18 -47.19 11.37 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.061 -2.016 . . . . 0.0 108.061 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.26 -36.76 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -58.9 -43.76 91.09 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.146 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.93 -74.31 0.23 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.38 61.76 6.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 122.909 0.483 . . . . 0.0 110.112 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -73.41 -175.93 2.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.605 0.24 . . . . 0.0 110.484 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 172.98 -60.16 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 169.26 -49.36 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.553 0.533 . . . . 0.0 109.701 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.78 -48.0 76.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.718 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.61 31.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 122.036 0.135 . . . . 0.0 111.278 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.98 -53.13 35.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.575 0.35 . . . . 0.0 111.235 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.61 -46.93 67.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.044 0.215 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -64.36 -33.17 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.522 0.201 . . . . 0.0 110.781 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.68 -46.57 62.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.48 -43.37 75.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.818 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.72 78.04 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.37 -41.1 88.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.63 -64.22 0.89 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.28 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -48.59 -40.47 27.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -74.07 -47.55 35.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.456 0.571 . . . . 0.0 111.954 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.3 -66.22 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.49 -38.54 91.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.16 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 111.218 0.081 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.28 -44.14 16.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.736 0.648 . . . . 0.0 112.259 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.44 -63.48 1.06 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -51.48 -46.74 63.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.63 -45.66 77.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.84 -39.55 77.96 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.5 -65.63 0.53 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.318 -0.373 . . . . 0.0 110.252 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -47.27 -35.75 8.23 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 123.893 0.746 . . . . 0.0 109.984 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.02 -65.52 3.18 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 106.57 -2.612 . . . . 0.0 106.57 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.89 -44.38 39.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.39 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -52.2 -52.74 50.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.533 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.2 -39.85 73.07 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.99 -41.62 83.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.62 -38.54 55.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.793 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -73.58 -36.54 65.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.36 -66.51 2.75 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 113.863 -1.517 . . . . 0.0 109.832 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.31 -39.31 96.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.15 -45.79 72.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 117.252 0.526 . . . . 0.0 110.495 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -64.09 -40.36 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.24 -50.94 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.43 73.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.017 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.24 68.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -55.62 -48.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.93 -38.63 57.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.417 0.448 . . . . 0.0 110.272 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.12 -104.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.17 -53.56 0.24 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.88 129.33 3.48 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.28 -4.94 89.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.19 -44.29 18.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.05 -32.51 63.34 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.104 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.78 -62.47 1.85 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.94 93.07 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.19 -58.84 4.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.6 74.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.74 -22.17 66.06 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.619 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.68 -34.08 40.59 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.22 -42.39 95.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.793 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.97 -28.64 66.81 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.25 87.03 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.09 -23.62 61.06 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -66.54 -54.86 19.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.27 -46.8 79.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.81 -47.21 80.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.74 80.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.76 -47.15 74.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.406 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.88 -58.92 2.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.798 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 122.509 0.323 . . . . 0.0 110.83 -179.494 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.26 -40.93 58.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.96 -42.67 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.465 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.67 -52.92 17.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.58 -45.64 48.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.658 0.599 . . . . 0.0 111.003 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.18 95.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -28.41 66.77 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.71 -38.35 90.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.44 78.0 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.17 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.7 -26.64 68.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.03 -40.5 53.32 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.93 -26.07 64.9 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -67.37 -69.07 0.33 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.45 -28.63 68.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.42 -21.96 79.08 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.3 -39.77 18.0 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.034 -2.026 . . . . 0.0 108.034 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.53 -48.17 81.74 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.23 -43.76 92.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.381 0.673 . . . . 0.0 112.176 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.54 -61.11 2.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 39' ' ' GLU . . . -57.75 -21.44 41.29 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.541 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.42 -43.86 20.27 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.43 -32.78 71.96 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.595 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.18 -47.42 7.01 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.397 -1.881 . . . . 0.0 108.397 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.27 -39.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.77 97.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.376 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -35.04 79.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.48 -125.33 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -121.64 -103.65 0.39 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 172.13 98.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -157.26 -105.56 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -67.32 -49.45 64.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.99 62.1 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.11 0.164 . . . . 0.0 111.045 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.11 -49.97 62.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.17 0.294 . . . . 0.0 110.631 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.77 -44.16 69.8 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.096 0.248 . . . . 0.0 110.392 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.51 -32.14 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.819 -0.173 . . . . 0.0 110.739 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' CB ' ' HB1' ' A' ' 23' ' ' ALA . . . -71.58 -46.53 59.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -54.92 -40.35 69.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.703 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.98 74.15 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.4 -43.52 92.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.46 -58.39 7.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.03 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 1.314 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -51.2 -39.13 55.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -78.46 -50.28 11.94 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -75.66 -63.15 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -54.77 -24.76 24.02 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.045 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.314 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 C--N 1.341 0.208 0 C-N-CA 123.692 0.797 . . . . 0.0 112.438 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.41 -34.73 2.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 123.985 0.803 . . . . 0.0 111.804 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.96 -54.08 21.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.645 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.14 -49.72 73.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.94 -48.63 75.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.54 -39.3 59.98 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -66.18 0.43 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 119.17 -0.443 . . . . 0.0 109.997 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.8 -35.25 1.83 Allowed 'General case' 0 C--N 1.34 0.192 0 O-C-N 124.179 0.924 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.48 1.63 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.4 -47.08 37.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.958 -0.621 . . . . 0.0 110.959 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.37 50.42 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.335 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.86 -37.86 71.9 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.667 0.604 . . . . 0.0 110.652 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.17 -43.51 61.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.53 0.681 . . . . 0.0 109.422 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.06 -33.86 63.83 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.587 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.53 -64.81 4.03 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.262 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.66 -36.52 87.92 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -56.48 -38.01 71.14 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.546 0.673 . . . . 0.0 110.161 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.51 -41.95 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.472 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.74 -50.82 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.57 64.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.627 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.27 66.96 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -56.35 -50.94 70.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -73.54 -51.24 17.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.39 -27.29 46.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.01 78.76 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -84.55 85.52 7.41 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -26.36 56.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.76 -31.57 35.83 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.543 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -74.79 -36.51 62.5 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.181 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.72 40.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 122.756 0.423 . . . . 0.0 110.389 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.21 12.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -65.09 -57.02 9.68 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.469 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.42 -26.59 66.82 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.93 -33.13 59.85 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -58.53 -42.37 87.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.68 -26.78 57.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.24 -57.6 14.75 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.93 -17.62 76.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.85 -55.66 12.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.22 -45.06 86.25 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.78 -46.76 84.13 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.77 74.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.74 -50.38 72.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.06 -61.62 1.84 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.376 0 O-C-N 123.49 0.494 . . . . 0.0 110.809 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.29 -37.12 45.59 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.49 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.5 -47.82 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.707 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.38 -50.29 40.36 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.12 -49.11 61.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.504 0.502 . . . . 0.0 111.19 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.15 -32.02 70.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.73 -38.88 92.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.79 -45.52 92.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.064 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.15 -29.15 67.21 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -71.27 -38.49 71.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.49 -38.52 91.32 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.62 -64.69 0.85 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.29 -34.93 64.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.57 -72.17 0.63 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.71 -43.4 2.3 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 124.48 1.038 . . . . 0.0 114.142 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -59.25 -53.04 62.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 118.953 1.376 . . . . 0.0 108.078 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.75 -49.28 65.8 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.083 0.553 . . . . 0.0 111.922 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.13 -60.21 3.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.521 0.328 . . . . 0.0 111.218 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -20.78 22.86 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.16 -47.12 15.22 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.711 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.85 -30.18 66.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.243 0.217 . . . . 0.0 111.514 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -50.47 5.45 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.54 -46.95 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.75 92.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.65 -21.48 52.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -140.79 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.62 65.27 0.31 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -158.21 -157.9 0.67 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.87 -22.07 0.79 Allowed 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.922 0.764 . . . . 0.0 110.073 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.61 -47.14 85.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.99 75.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -50.23 56.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.342 0.401 . . . . 0.0 110.576 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.77 -46.25 67.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -60.25 -35.0 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.86 -44.34 85.71 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.33 -44.95 62.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.124 0.89 . . . . 0.0 109.11 177.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -53.31 -49.37 67.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.22 -34.87 77.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.94 -56.74 16.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -43.42 -45.29 6.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.324 1.015 . . . . 0.0 110.034 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -55.87 -48.55 75.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.556 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.91 -45.8 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.66 67.26 4.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 101.767 -3.42 . . . . 0.0 101.767 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.73 -31.03 2.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 124.145 0.903 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.78 -61.99 1.68 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.57 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.54 -42.62 74.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.51 -49.5 72.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.14 -37.89 55.27 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.82 -66.71 0.35 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 119.097 -0.478 . . . . 0.0 109.994 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.47 -34.55 1.36 Allowed 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.932 0.77 . . . . 0.0 110.845 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.81 -70.1 1.06 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 106.723 -2.551 . . . . 0.0 106.723 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.06 -48.66 16.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.387 0.698 . . . . 0.0 111.294 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.02 63.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.911 0.386 . . . . 0.0 110.475 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.24 -46.19 69.06 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.85 -37.75 80.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.95 -49.45 63.15 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.04 -36.32 69.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.932 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.89 -67.84 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.642 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.85 -37.71 94.64 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.59 -34.06 76.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 117.562 0.681 . . . . 0.0 110.032 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.67 -45.25 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -65.7 -37.31 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.91 28.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.5 67.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -63.69 -51.66 64.07 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.39 -39.25 60.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.3 -104.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 175.25 26.68 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.418 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -96.48 88.12 4.61 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.558 0.743 . . . . 0.0 109.582 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.17 56.74 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.01 37.34 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.698 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -76.56 -35.68 58.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.487 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -78.27 -29.32 47.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.14 -45.89 9.76 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.78 65.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.698 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.2 -50.3 70.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -59.96 -31.16 69.63 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 122.466 0.306 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.72 -30.04 63.86 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.27 -46.05 90.53 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -66.78 -25.96 66.73 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.62 36.15 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -69.41 -23.36 76.49 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -70.05 -56.06 7.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -60.46 -51.38 69.69 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.64 -44.07 76.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -53.0 -47.21 68.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.221 0.325 . . . . 0.0 110.288 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.27 -51.81 66.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.64 -40.05 82.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.43 -40.4 61.98 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.8 -44.59 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.575 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.72 -52.97 15.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.95 -44.41 63.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.497 0.498 . . . . 0.0 110.521 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.82 99.51 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -27.49 67.25 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.25 -38.47 87.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.6 69.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.6 -25.3 66.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.01 -40.49 38.81 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.98 -23.1 63.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.571 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.429 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -70.7 -68.59 0.42 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.29 -31.65 67.68 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.73 72.16 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.05 -40.29 62.27 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.282 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.739 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.72 -48.72 80.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.219 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -53.13 -49.43 66.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.503 0.721 . . . . 0.0 112.529 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.49 -65.03 0.74 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.98 29.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.739 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -79.12 -37.2 39.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.728 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.67 -38.97 58.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.407 0.283 . . . . 0.0 111.299 -178.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.98 -46.73 21.5 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -58.02 -47.57 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.65 68.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.899 179.126 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.56 -33.05 75.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.18 -95.72 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -153.15 -102.18 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . 173.06 105.67 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.49 -106.38 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -69.09 -43.11 75.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.53 23.67 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 32' ' ' ASP . . . -49.97 -49.39 50.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.78 0.432 . . . . 0.0 111.253 -179.679 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.09 -44.07 78.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.08 -36.89 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -74.49 -51.08 15.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.118 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -53.62 -44.04 69.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.758 0.661 . . . . 0.0 109.501 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.3 91.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.089 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.07 -47.74 82.26 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.565 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.87 -55.34 31.49 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.064 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.851 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -48.74 -44.1 38.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.083 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -72.38 -48.6 40.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -80.45 -72.76 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.064 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -61.39 -37.51 83.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.044 -176.539 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.851 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.395 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.79 -35.45 22.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.448 0.467 . . . . 0.0 109.92 177.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.31 -53.97 49.92 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.56 -40.1 68.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.9 -48.61 75.34 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.11 62.76 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.08 14.11 Favored 'General case' 0 C--O 1.226 -0.147 0 O-C-N 123.573 0.545 . . . . 0.0 110.693 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.7 -70.2 0.98 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 177.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.27 -44.76 33.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 124.397 0.704 . . . . 0.0 110.756 177.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.0 -51.23 62.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.76 -42.87 68.69 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.14 -41.48 96.82 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.271 0.357 . . . . 0.0 110.417 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -49.66 -42.92 46.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.55 0.69 . . . . 0.0 109.147 178.227 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -75.82 -36.25 59.76 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.824 177.554 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.24 -66.43 2.73 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-N 114.018 -1.447 . . . . 0.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.06 -37.09 87.05 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -58.21 -40.0 80.47 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.37 -42.86 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.656 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . . . -57.88 -44.72 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.117 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.58 -53.37 57.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.325 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.56 67.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.754 ' HB2' ' CB ' ' A' ' 40' ' ' ALA . . . -55.13 -54.36 44.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -66.07 -50.35 64.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.66 -23.89 44.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.84 24.59 76.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -91.95 91.9 8.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.88 -22.62 66.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.23 29.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -71.11 -34.3 70.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.663 179.194 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.73 40.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.719 0.408 . . . . 0.0 110.44 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.55 -47.19 12.78 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 178.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.94 81.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -64.29 -57.83 8.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.927 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -56.86 -28.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 122.717 0.407 . . . . 0.0 111.702 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.48 -34.59 65.4 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -56.7 -43.41 80.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.347 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.441 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.01 -27.64 60.21 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.741 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.5 -58.33 8.74 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.46 -22.12 77.85 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.33 -55.98 11.63 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.52 -46.97 80.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.52 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.32 -50.66 69.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.27 -43.46 61.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.47 0.481 . . . . 0.0 110.135 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.43 -50.84 66.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.95 -41.58 98.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.666 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.28 -44.35 59.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.66 -38.9 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.424 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.01 -51.97 14.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.69 -44.05 62.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.422 0.451 . . . . 0.0 110.573 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.53 98.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.47 -27.98 66.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.879 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.37 -38.78 88.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.28 76.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.84 -22.51 64.29 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.062 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.06 -43.15 22.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.116 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.8 -22.78 66.59 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -75.77 -65.36 0.91 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.6 -37.66 70.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.01 56.68 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.97 96.59 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.564 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.32 -50.99 71.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -47.27 -52.07 17.16 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.477 0.711 . . . . 0.0 112.682 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.04 -61.09 2.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -40.81 66.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 110.2 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.429 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -67.62 -51.94 44.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -58.86 -42.38 89.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.83 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.99 6.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.94 -55.36 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -63.24 -27.94 69.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -59.54 -77.04 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.791 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -37.86 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 O-C-N 125.003 1.439 . . . . 0.0 111.154 178.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -148.8 -62.94 0.24 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 177.401 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.841 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . 73.6 -176.88 0.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.677 176.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 155.8 -73.86 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -79.43 -37.64 36.57 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.3 -57.31 5.48 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.322 179.131 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.841 ' HB2' ' CB ' ' A' ' 32' ' ' ASP . . . -53.97 -41.71 68.15 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.313 0.245 . . . . 0.0 110.546 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.675 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -59.36 -39.88 84.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -59.11 -35.83 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.68 -42.15 82.57 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -53.48 -44.19 68.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.23 0.956 . . . . 0.0 109.703 177.399 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.59 70.49 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.043 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -63.08 -46.11 88.96 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -50.79 -62.42 1.62 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.002 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -46.64 -45.36 19.11 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.777 0.673 . . . . 0.0 111.988 178.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.19 -39.62 66.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -74.88 -39.54 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.949 178.414 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -48.64 -48.11 39.83 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.595 0.758 . . . . 0.0 111.853 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.793 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.52 -23.26 0.92 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.701 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.17 -54.36 30.8 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.385 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.653 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.53 -42.92 88.85 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.14 -50.55 70.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.03 -37.65 54.33 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.075 -1.61 . . . . 0.0 109.075 178.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.56 -64.28 0.88 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.28 -35.6 5.44 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.565 0.541 . . . . 0.0 112.1 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.78 -68.19 1.82 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 107.879 -2.089 . . . . 0.0 107.879 177.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -47.1 -47.09 23.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.631 -0.785 . . . . 0.0 109.99 177.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.44 66.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.21 0.319 . . . . 0.0 110.921 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.41 -57.39 9.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.167 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.16 -54.85 42.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -39.55 -61.12 0.85 Allowed 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.832 1.333 . . . . 0.0 112.838 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -66.71 -22.79 66.06 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 111.963 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.51 -35.61 46.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.4 -35.45 47.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -68.23 -36.4 79.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.817 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -61.45 -46.73 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.626 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -64.16 -30.64 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -60.37 -53.05 62.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HB3' ' CA ' ' A' ' 107' ' ' PHE . . . -59.7 -33.3 71.42 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -55.68 -50.06 71.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.82 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.05 -46.42 71.16 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . . . -54.63 -24.81 23.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.454 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.27 -69.63 0.22 Allowed Glycine 0 C--N 1.339 0.734 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.511 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -36.14 106.15 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.063 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.16 -0.42 86.0 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 177.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.65 -44.83 18.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.28 -29.83 38.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.605 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.61 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . . . -73.48 -35.0 65.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.72 30.09 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.08 -42.45 56.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -67.87 -47.72 68.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.08 -22.77 66.43 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 122.405 0.282 . . . . 0.0 110.641 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.81 -28.6 44.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.824 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.54 -47.38 79.03 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -66.06 -31.0 71.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.124 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 119' ' ' LYS . . . -73.92 -35.0 55.0 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.285 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.82 -29.16 65.64 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.18 -56.17 9.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.428 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.06 -50.41 64.22 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 115' ' ' GLY . . . -53.56 -63.46 1.14 Allowed 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.484 0.314 . . . . 0.0 111.048 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.77 45.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.45 -51.55 66.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.56 -54.51 7.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.578 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 122.45 0.3 . . . . 0.0 111.496 -178.77 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.37 -37.33 44.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.388 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.79 -45.5 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.736 -179.316 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.45 -48.25 56.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.57 -48.18 57.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.66 0.6 . . . . 0.0 111.168 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.592 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.7 -33.12 71.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.23 -38.33 86.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.064 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.41 -43.5 97.33 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.101 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.95 -27.24 66.63 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.04 -31.08 55.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.3 -39.28 71.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -61.66 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.41 -32.83 67.25 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.22 -77.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 108.489 -1.845 . . . . 0.0 108.489 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.9 -42.76 2.28 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.639 1.114 . . . . 0.0 115.228 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.76 -51.63 68.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.678 1.739 . . . . 0.0 108.287 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.32 -49.66 69.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.199 0.6 . . . . 0.0 112.196 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.89 -56.21 23.86 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -17.63 36.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.426 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.646 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.58 -47.03 14.76 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.535 -179.398 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.51 -30.16 62.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.323 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.43 -48.74 6.6 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 108.047 -2.021 . . . . 0.0 108.047 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -63.57 -34.13 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.125 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -62.06 -42.08 98.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.88 -68.66 0.52 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.03 67.62 10.27 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -47.92 138.53 8.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.693 0.62 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -150.74 -12.56 0.23 Allowed 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.734 0.646 . . . . 0.0 110.968 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 77.41 -46.0 0.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.968 0.507 . . . . 0.0 110.701 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -65.34 -47.95 74.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.471 0.177 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.06 79.21 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.58 -49.87 66.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.35 -45.98 62.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.235 0.334 . . . . 0.0 111.015 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.38 -28.54 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.12 -45.74 66.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 1.019 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -55.23 -42.13 73.01 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.519 178.364 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.98 -51.46 69.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.18 -37.19 82.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.38 -66.69 0.34 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.982 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -45.05 -43.35 9.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.874 0.87 . . . . 0.0 113.067 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.14 -38.44 76.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -72.67 -41.32 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.151 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.37 -45.89 76.51 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.175 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 119.188 -0.434 . . . . 0.0 110.144 -178.666 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.08 -35.71 3.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.961 0.788 . . . . 0.0 111.591 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.64 -56.34 11.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.606 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.618 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.62 -47.23 73.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.92 -48.03 76.43 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.38 -39.61 65.85 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.58 -66.33 0.41 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 119.311 -0.376 . . . . 0.0 110.118 179.127 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.19 -35.75 3.43 Favored 'General case' 0 C--N 1.339 0.14 0 O-C-N 124.059 0.849 . . . . 0.0 110.74 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.06 -69.39 1.22 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 177.487 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.5 -45.78 37.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.106 0.533 . . . . 0.0 110.981 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -52.57 49.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.82 -38.61 70.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.12 -42.81 99.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.685 0.616 . . . . 0.0 110.21 177.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.36 -43.0 54.1 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.201 178.413 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.508 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.21 -36.39 63.96 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 114.35 -1.296 . . . . 0.0 109.675 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.11 -64.86 3.79 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 114.002 -1.453 . . . . 0.0 110.062 179.674 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.11 93.12 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -57.58 -38.96 75.71 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.216 0.508 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.49 -42.34 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.554 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.63 -48.47 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.722 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.42 80.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.562 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -60.39 -37.26 80.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 1.019 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -53.15 -50.1 65.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.782 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.14 162.44 1.39 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.62 58.28 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.916 -178.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -101.32 -100.19 2.43 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.704 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -154.14 127.78 8.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.59 -15.38 61.69 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -30.27 35.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 178.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.889 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.33 -34.41 65.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.443 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -80.26 -25.85 39.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.15 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.66 -47.1 8.14 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.43 64.51 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.889 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.65 -54.15 40.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.959 178.564 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.78 -26.48 68.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 122.7 0.4 . . . . 0.0 111.637 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.61 -32.29 60.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 178.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.89 -41.14 90.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.508 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.01 -28.43 62.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.745 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.46 -52.95 45.44 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -78.64 -19.92 72.45 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.77 -57.15 5.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.98 -48.54 78.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.45 -40.91 79.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -54.7 -47.17 74.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.39 -50.61 69.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.41 -35.65 78.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.806 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.78 -50.47 42.84 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.24 -34.52 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.73 -52.1 14.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.11 -42.42 63.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.468 0.48 . . . . 0.0 110.35 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.53 92.91 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.97 -27.53 66.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.72 -44.9 65.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.15 -24.07 57.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.97 -38.55 32.0 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.297 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.34 -23.92 62.9 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.6 -68.05 0.51 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.56 -31.36 66.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.61 64.94 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.53 -40.4 97.61 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -52.6 64.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.604 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.11 -50.59 36.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.242 0.617 . . . . 0.0 112.521 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.89 -62.49 1.47 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.466 0.306 . . . . 0.0 111.471 -177.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.45 -33.85 46.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 123.619 0.574 . . . . 0.0 109.72 -179.705 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.43 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -73.59 -42.37 61.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.792 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.99 -45.12 64.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.222 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.63 -50.98 7.53 Favored Glycine 0 C--N 1.335 0.485 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -177.575 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.83 -49.21 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.01 71.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -28.89 61.53 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.386 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.49 -116.41 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -85.94 -169.75 2.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.717 0.407 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -120.04 168.59 11.02 Favored 'General case' 0 C--N 1.339 0.145 0 O-C-N 124.595 1.184 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 81.93 -65.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.04 0.837 . . . . 0.0 110.436 179.385 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -58.2 -42.04 85.28 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -56.63 18.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.084 -179.225 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.15 33.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.407 0.442 . . . . 0.0 110.464 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.61 -58.73 6.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -53.54 -44.66 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.105 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.59 -41.23 93.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.968 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -50.0 -48.81 52.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 123.293 0.371 . . . . 0.0 110.74 178.737 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.85 58.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -67.12 -54.35 22.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.551 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -52.18 -52.05 54.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.275 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -47.91 -42.84 28.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.178 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.47 -42.06 70.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.429 0.633 . . . . 0.0 109.422 178.7 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.69 -40.1 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.986 178.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.16 167.12 20.75 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 175.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 118.072 2.619 . . . . 0.0 118.072 -179.764 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.35 -33.45 5.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.234 0.959 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.16 -58.68 4.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -53.96 -48.07 70.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.49 -47.61 75.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.591 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.6 -37.09 74.07 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 178.692 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -62.25 1.78 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -52.2 -39.27 59.92 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -63.31 4.21 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 107.068 -2.413 . . . . 0.0 107.068 178.191 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.68 -40.75 54.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.568 -0.816 . . . . 0.0 109.422 176.521 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -53.68 -52.99 58.24 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 123.292 0.37 . . . . 0.0 111.03 -179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -55.48 -40.63 71.91 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.191 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.77 -41.09 85.78 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.04 -38.66 52.86 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.761 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.99 -35.57 66.89 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.348 -1.297 . . . . 0.0 109.59 177.315 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.88 -69.32 1.24 Allowed Glycine 0 CA--C 1.527 0.791 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.234 179.159 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.74 -36.25 93.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.115 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -52.96 -50.42 64.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.108 0.454 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -61.5 -38.2 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.587 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -53.9 -51.56 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 101' ' ' ALA . . . -56.34 -45.56 80.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.39 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.52 -42.12 67.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.781 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.968 ' HB2' ' CB ' ' A' ' 40' ' ' ALA . . . -52.93 -53.72 45.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.638 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.67 -45.27 30.36 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . -58.0 -42.31 84.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.715 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 72.03 -159.19 53.67 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 71.03 126.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.422 0.289 . . . . 0.0 110.767 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.37 -14.42 81.96 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -54.58 5.63 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.99 67.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.13 -67.81 0.41 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.562 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.87 -38.66 16.8 Favored Glycine 0 C--N 1.338 0.643 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.81 87.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.59 43.2 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.983 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.43 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -60.35 -21.45 62.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.091 0.556 . . . . 0.0 112.436 -178.458 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.1 -37.25 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -55.42 -42.43 74.14 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.761 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.19 -29.78 63.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 178.59 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.29 -46.65 62.91 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.96 -25.78 57.17 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.31 -54.57 44.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.385 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.39 -42.24 62.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.894 -179.594 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -62.64 -60.44 3.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.057 0.143 . . . . 0.0 110.885 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.82 73.96 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -52.52 -43.22 64.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.335 0.397 . . . . 0.0 110.435 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.72 -70.67 0.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.464 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.357 -179.634 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.51 -39.57 37.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.513 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.81 -43.89 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.435 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.75 -52.28 26.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.64 -47.27 50.0 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 123.724 0.64 . . . . 0.0 111.246 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.4 -44.07 96.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.465 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.95 -30.51 67.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.086 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.81 -37.77 88.61 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.11 -44.36 80.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.296 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.05 -29.37 67.25 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.12 -45.76 59.28 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -60.2 -34.09 73.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.07 -66.56 0.52 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.95 -24.7 76.86 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.35 -39.35 31.26 Favored Glycine 0 C--N 1.337 0.633 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.09 -51.17 71.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.157 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.55 -50.72 59.51 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.243 0.617 . . . . 0.0 112.445 179.439 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -61.56 -58.34 8.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.807 0.337 . . . . 0.0 110.598 -178.554 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -19.97 18.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.771 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.723 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.4 -48.04 13.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.996 -179.161 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.23 -31.92 69.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.461 -178.388 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -51.71 4.9 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.06 -31.25 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.723 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -69.44 -43.36 73.5 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.237 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.13 -26.25 39.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.252 0.221 . . . . 0.0 111.039 -178.583 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 -118.14 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . -155.27 -90.47 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.881 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . 43.08 -55.77 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 178.145 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.832 ' N ' ' O ' ' A' ' 31' ' ' PHE . . . 64.99 -46.57 0.35 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 -177.467 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -66.93 -42.8 84.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 177.303 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . . . -62.23 -43.98 97.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.2 -43.83 71.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.289 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.01 -40.06 72.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.519 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.594 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -64.03 -34.87 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.799 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.4 -42.92 92.09 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.041 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.5 -41.21 63.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 124.347 1.03 . . . . 0.0 108.311 177.346 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -54.9 -48.6 72.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.782 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.85 -38.58 86.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.44 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -52.25 -57.02 10.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.53 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.43 -42.92 7.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.311 1.007 . . . . 0.0 109.915 175.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -59.27 -48.2 82.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.12 -0.362 . . . . 0.0 110.654 178.138 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -58.41 -47.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.95 69.01 1.86 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 102.468 -3.16 . . . . 0.0 102.468 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.665 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 -175.323 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.313 0.101 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.21 -47.77 17.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.987 0.515 . . . . 0.0 112.092 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.39 -55.43 27.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.699 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.95 -31.62 41.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -59.23 -58.7 7.5 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.644 178.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.38 -6.84 4.84 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -80.47 -74.1 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 178.26 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.74 -37.33 8.34 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 123.989 0.806 . . . . 0.0 110.409 178.396 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.32 -63.5 5.01 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.3 -48.2 18.24 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.597 0.822 . . . . 0.0 111.0 176.344 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.61 24.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.403 0.281 . . . . 0.0 111.513 -178.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.44 -44.8 72.81 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.11 -42.19 76.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.82 -44.53 59.2 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 123.862 0.726 . . . . 0.0 109.117 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -70.8 -36.65 73.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.461 178.286 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.57 -66.93 2.5 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.37 98.75 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.487 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.43 -38.8 66.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.257 0.528 . . . . 0.0 110.257 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.08 -41.82 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.07 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.55 -58.56 8.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.65 63.06 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.731 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.67 -52.45 65.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.14 -40.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 123.363 0.415 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.31 -103.7 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.23 36.36 0.02 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.546 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -102.94 90.37 3.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.808 0.843 . . . . 0.0 109.826 -179.325 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.65 -24.95 57.83 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.6 36.65 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.609 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -74.68 -32.62 62.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.12 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.06 -28.04 39.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.5 -45.63 10.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.05 72.97 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.33 -53.34 54.26 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.304 178.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.73 -30.45 67.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 122.499 0.32 . . . . 0.0 111.201 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.88 -32.14 63.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.53 -46.43 88.89 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.548 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.62 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.1 -26.58 65.89 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.507 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.86 15.04 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.43 -25.55 74.75 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.091 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.05 -63.05 1.26 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.55 -47.21 84.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -61.57 2.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.849 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.18 -41.82 28.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.626 0.579 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.58 -50.81 69.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.303 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -69.65 -58.49 3.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.893 -179.199 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 O-C-N 123.249 0.343 . . . . 0.0 110.41 -179.741 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.23 -60.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.84 -40.51 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.999 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.94 -50.61 32.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -52.27 -48.76 65.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 123.383 0.427 . . . . 0.0 110.991 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.95 -39.19 91.26 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 178.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.71 -29.07 67.86 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.883 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.67 -39.94 88.36 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.69 -46.23 89.09 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.937 179.342 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.06 -28.9 66.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.44 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.31 -32.52 64.65 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.19 -35.85 78.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -64.86 -65.05 0.72 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.76 -34.21 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.43 -71.26 0.77 Allowed Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 179.043 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.67 -42.87 2.14 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 124.367 0.984 . . . . 0.0 114.421 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.0 -53.65 55.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.041 1.421 . . . . 0.0 108.043 178.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -50.4 -51.55 45.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.479 0.712 . . . . 0.0 112.761 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.61 -56.75 13.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.865 0.466 . . . . 0.0 111.697 -178.135 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.71 42.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.434 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.08 -40.89 26.68 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -58.9 -62.1 2.13 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.85 -42.36 85.79 Favored Glycine 0 C--N 1.337 0.604 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.78 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . -56.21 -36.33 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 118.116 0.958 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.02 26.13 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.69 -52.89 9.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 117.777 0.262 . . . . 0.0 111.484 -177.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.29 -119.2 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.78 ' O ' ' O ' ' A' ' 27' ' ' VAL . . . -88.7 -164.07 1.07 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -150.19 74.98 1.22 Allowed 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.902 0.752 . . . . 0.0 109.921 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.58 -88.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.17 -52.04 67.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.405 0.282 . . . . 0.0 111.756 -179.002 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.93 -49.21 74.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 122.05 0.14 . . . . 0.0 110.768 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -52.44 39.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.353 0.408 . . . . 0.0 110.555 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.08 -49.56 60.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.357 0.411 . . . . 0.0 110.632 179.325 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.89 -34.51 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.608 0.242 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.98 -42.77 94.26 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . . . -52.12 -45.66 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 123.937 0.773 . . . . 0.0 109.245 177.784 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.48 -54.53 39.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.046 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -32.94 72.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.45 -60.34 3.55 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 178.561 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.97 -44.82 2.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.727 1.267 . . . . 0.0 110.122 176.534 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -55.06 -46.34 75.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.788 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.23 -38.37 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.41 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 174.241 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -172.815 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.67 -39.84 5.42 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 123.776 0.672 . . . . 0.0 111.655 -179.606 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.67 -47.96 82.97 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.661 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.664 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -59.36 -45.36 91.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.469 179.261 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.35 -52.59 64.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.22 -38.07 32.31 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 178.595 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.08 -65.81 0.51 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.97 -35.47 0.37 Allowed 'General case' 0 C--N 1.343 0.302 0 O-C-N 124.696 1.248 . . . . 0.0 110.766 179.297 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.61 4.25 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 105.837 -2.905 . . . . 0.0 105.837 176.496 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -47.82 -51.9 20.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.407 -0.897 . . . . 0.0 111.111 177.423 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.96 19.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.24 -45.59 72.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.66 -44.13 90.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.36 0.412 . . . . 0.0 110.819 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 94' ' ' ALA . . . -50.62 -48.07 58.09 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.285 0.564 . . . . 0.0 110.311 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -73.74 -34.18 64.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.048 178.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.6 -67.76 2.03 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.641 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.92 82.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -67.91 -34.74 77.19 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.507 0.653 . . . . 0.0 110.146 -179.449 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.711 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -68.15 -41.95 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.866 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -68.19 -38.19 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.252 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.33 -51.61 65.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 1.05 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -64.08 -30.57 71.63 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.219 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -56.47 -48.63 76.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.656 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.6 1.63 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -179.001 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.79 32.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.826 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.43 -147.34 2.2 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.581 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.69 -179.68 5.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.838 0.855 . . . . 0.0 110.112 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.2 -17.79 61.93 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.214 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.95 -30.76 35.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 1.05 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -73.34 -38.95 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.319 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.553 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -78.9 -27.75 43.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.691 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.73 -50.4 6.52 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -38.02 62.75 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.872 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.47 -49.65 72.79 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.752 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -61.58 -29.42 70.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 122.469 0.308 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.14 -27.93 61.95 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.73 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.41 -44.94 93.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 178.082 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.93 -27.57 66.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.004 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.08 -50.97 54.84 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 108.59 -1.804 . . . . 0.0 108.59 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -55.53 -66.57 2.74 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.387 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -48.61 -27.92 3.13 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.003 0.401 . . . . 0.0 111.97 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -75.19 -74.39 0.21 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.445 0.164 . . . . 0.0 111.201 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -37.83 65.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.524 -179.034 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.0 70.33 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -59.04 -41.2 87.25 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.23 -65.28 0.7 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.549 179.89 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.92 -34.22 44.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.121 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.46 -47.92 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.584 -179.395 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.03 -51.4 32.49 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.17 -44.89 52.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 123.775 0.672 . . . . 0.0 110.89 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.325 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.18 -30.46 68.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.044 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.95 -38.0 89.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.77 -43.65 75.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.309 179.676 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.06 -26.18 65.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.16 -40.36 45.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.16 -27.97 66.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.24 -67.32 0.46 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.29 -29.79 69.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.37 -25.92 73.19 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -39.89 32.75 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.83 -51.08 71.05 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.46 -46.05 76.85 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.446 0.698 . . . . 0.0 112.722 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.53 -59.86 4.35 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.939 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.12 -21.37 59.18 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.532 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' MET . . . . . 1.141 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.3 -42.62 22.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.468 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.42 -34.28 58.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.518 -178.392 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -53.84 3.97 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.651 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -66.44 -44.29 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.532 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.141 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -59.52 -39.9 85.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.216 179.459 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.14 -17.4 52.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.275 0.23 . . . . 0.0 110.433 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.45 -139.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 177.81 99.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -177.97 -90.23 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 165.52 -36.6 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.209 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.02 -48.09 81.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -178.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.651 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -58.94 -53.64 56.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.772 -0.156 . . . . 0.0 110.944 -178.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.49 -51.97 24.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 123.497 0.498 . . . . 0.0 110.99 -179.68 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.63 -46.27 67.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.183 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -56.44 -38.58 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.5 -41.3 98.73 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.92 -46.44 64.63 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 123.933 0.771 . . . . 0.0 109.628 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.99 -52.06 64.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.77 -35.17 74.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.346 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.03 -59.12 5.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.57 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.89 -44.91 1.74 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 124.858 1.348 . . . . 0.0 110.069 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.71 -44.1 73.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -66.01 -44.52 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.17 66.06 2.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 175.703 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -172.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.26 -41.42 5.9 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 111.916 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.05 -62.4 1.39 Allowed 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.17 -46.33 65.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -178.794 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.82 -50.17 71.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.28 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.11 -38.98 57.08 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.565 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.97 -66.25 0.43 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.14 -35.64 3.28 Favored 'General case' 0 C--N 1.34 0.185 0 O-C-N 123.872 0.732 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.51 -74.64 0.29 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 107.771 -2.132 . . . . 0.0 107.771 177.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.38 -46.1 12.97 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.209 0.594 . . . . 0.0 111.204 178.107 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.84 -46.47 71.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.15 -47.13 72.28 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.278 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.54 -35.38 77.6 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.702 178.47 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.74 -49.16 66.0 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.571 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.04 -35.93 64.36 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.193 178.373 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.17 -64.66 3.98 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.454 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -36.06 79.15 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 123.266 0.46 . . . . 0.0 111.989 -178.376 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.32 71.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 117.515 0.657 . . . . 0.0 109.913 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.599 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -72.09 -46.21 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 122.429 0.292 . . . . 0.0 110.911 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -71.66 -36.01 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.55 -57.35 13.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.616 ' HB1' ' CB ' ' A' ' 106' ' ' ALA . . . -73.41 -36.75 66.03 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.035 -179.265 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 95' ' ' VAL . . . -62.47 -54.53 38.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -66.29 -50.47 63.56 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.06 -179.698 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 7.09 0.14 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.23 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.82 107.13 0.73 Allowed Glycine 0 C--N 1.338 0.666 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.631 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . 168.85 71.01 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.557 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.62 -26.17 59.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.348 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.9 35.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.631 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -71.19 -31.68 67.93 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.113 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.47 -66.57 0.53 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -53.62 -40.77 63.72 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.913 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -60.04 2.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.599 -0.354 . . . . 0.0 111.57 -177.65 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.8 67.26 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.897 0.38 . . . . 0.0 110.38 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.38 -21.99 66.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.794 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -75.48 -33.83 60.85 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 178.393 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.33 -42.91 96.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 177.544 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -67.49 -30.15 69.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.678 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.88 -54.54 27.52 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.188 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.04 -20.0 78.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.18 -62.21 1.68 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.207 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.12 -44.97 94.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.51 -59.59 4.48 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.85 -46.01 30.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 123.617 0.573 . . . . 0.0 111.178 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.27 -52.93 63.36 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.19 -69.12 0.25 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.414 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 O-C-N 123.466 0.479 . . . . 0.0 111.03 -179.72 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 C--O 1.218 -0.586 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.75 -42.84 57.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.79 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.525 -179.611 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.65 -49.03 51.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.36 -49.57 61.22 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.606 0.567 . . . . 0.0 111.141 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.79 -38.38 85.14 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 179.227 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.57 -33.2 72.35 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.028 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.53 -39.29 93.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.45 -42.14 99.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.914 179.431 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.48 -27.56 69.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.19 -37.41 66.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.49 -38.82 88.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.64 -64.39 0.96 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.49 -31.75 64.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.64 -75.57 0.27 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.307 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.49 -42.14 1.82 Allowed Glycine 0 C--N 1.339 0.727 0 C-N-CA 124.299 0.952 . . . . 0.0 114.663 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -62.22 -54.0 47.17 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.613 1.707 . . . . 0.0 108.935 179.219 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.14 -52.31 27.01 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.508 0.723 . . . . 0.0 112.783 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.27 -52.5 61.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.274 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.33 66.07 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.112 0.482 . . . . 0.0 110.338 -178.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.17 -35.61 36.21 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.87 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.6 -59.08 3.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.2 -39.96 97.57 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.247 -178.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.489 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -65.75 -33.98 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 118.206 1.003 . . . . 0.0 109.097 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.97 63.64 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.664 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.6 -17.19 52.11 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.568 0.347 . . . . 0.0 110.48 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.77 -141.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.51 0.324 . . . . 0.0 111.084 -178.205 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.1 85.01 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.366 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -170.43 -99.69 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.526 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.11 -35.68 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -54.95 -54.61 40.54 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -53.77 -49.41 68.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.298 0.239 . . . . 0.0 111.127 -178.66 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -54.31 21.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.421 0.45 . . . . 0.0 110.776 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.598 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.25 -52.23 46.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 123.28 0.362 . . . . 0.0 111.332 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -61.25 -37.22 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.691 0.282 . . . . 0.0 110.853 -179.441 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.85 -44.52 92.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.904 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -50.12 -47.68 53.88 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 123.966 0.791 . . . . 0.0 109.623 177.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.8 63.17 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.692 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.91 -35.95 81.75 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.82 -60.5 3.28 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.549 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.99 -43.86 1.62 Allowed 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.405 1.066 . . . . 0.0 109.444 175.882 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.66 -44.22 73.08 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.058 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -55.05 -36.58 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.506 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.64 81.61 4.08 Favored 'General case' 0 CA--C 1.519 -0.238 1 N-CA-C 98.346 -4.687 . . . . 0.0 98.346 172.175 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.975 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -166.192 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.55 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -39.83 -50.71 2.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -176.445 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -80.05 -44.06 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.96 1.254 . . . . 0.0 112.448 -176.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -64.73 -64.97 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.71 -46.34 87.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 78' ' ' MET . . . -50.44 -42.15 42.31 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 177.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.84 -64.46 0.82 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.347 178.049 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.58 -36.3 0.38 Allowed 'General case' 0 C--N 1.342 0.273 0 O-C-N 124.858 1.348 . . . . 0.0 110.691 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.69 -73.07 0.51 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 106.561 -2.615 . . . . 0.0 106.561 177.645 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.64 -54.24 4.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.578 0.81 . . . . 0.0 112.272 177.834 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -54.27 31.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.714 0.405 . . . . 0.0 112.032 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -39.4 75.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.4 -41.93 86.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.856 178.073 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.43 -57.3 12.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.32 0.248 . . . . 0.0 111.382 -179.08 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.569 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -65.88 -30.84 71.51 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.127 0.489 . . . . 0.0 109.695 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.06 -63.67 4.98 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.82 -40.82 97.61 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.481 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.77 65.18 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.689 0.744 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -71.58 -42.15 71.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.445 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -64.12 -36.61 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.647 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.5 45.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -74.79 -31.95 61.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.808 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.904 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -65.47 -50.18 66.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.568 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.21 -61.25 1.92 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.094 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 157.35 35.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.413 0.149 . . . . 0.0 110.678 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -50.61 90.22 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.771 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 176.12 35.01 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.517 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.95 -22.71 55.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -68.46 0.37 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -178.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -63.36 -12.7 32.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.513 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . . . -75.61 -35.65 60.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.053 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.12 -43.07 41.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.42 -26.42 63.67 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.563 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.22 -51.11 49.13 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.841 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -68.92 -24.17 64.26 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -67.43 -45.42 76.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.68 -39.08 92.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.047 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.569 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.19 32.47 Favored Glycine 0 C--N 1.336 0.541 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.795 -178.318 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.85 -13.01 75.28 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.933 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -74.09 -62.32 1.55 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.2 -47.7 81.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.577 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.641 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -52.91 -51.73 60.24 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.175 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.15 -67.67 0.23 Allowed 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.599 0.562 . . . . 0.0 110.111 179.348 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -41.54 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.889 0.743 . . . . 0.0 112.89 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -51.63 -44.0 62.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.021 0.201 . . . . 0.0 111.267 -179.368 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 119' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.368 0 C-N-CA 123.188 0.595 . . . . 0.0 112.522 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.87 -45.69 60.46 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.65 -40.64 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.72 -48.58 59.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.677 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.64 -45.01 70.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 123.397 0.436 . . . . 0.0 110.116 179.489 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.16 99.36 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.92 -29.35 68.32 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.132 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.74 -38.69 91.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.62 -46.44 72.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.224 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.09 -27.95 64.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.909 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.91 -41.02 60.5 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.48 -28.53 69.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.843 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.49 -67.7 0.43 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.4 -31.05 67.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -25.44 75.07 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.54 -40.26 39.42 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . 1.026 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.24 -48.55 78.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.616 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -61.31 -39.44 90.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.003 0.521 . . . . 0.0 111.475 178.123 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -68.54 -70.25 0.28 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.315 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -22.32 48.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' MET . . . . . 1.026 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -78.09 -46.3 21.13 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.73 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.77 -24.95 58.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.334 0.254 . . . . 0.0 111.45 -178.378 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -49.47 5.83 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.356 -2.298 . . . . 0.0 107.356 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.64 -31.16 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -69.86 -41.51 74.76 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.523 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.01 -29.0 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.12 -136.04 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.61 79.54 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.2 -159.16 0.86 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -141.42 -27.4 0.68 Allowed 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 123.912 0.758 . . . . 0.0 110.029 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.69 -46.71 89.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.86 79.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.619 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.89 57.92 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.283 0.365 . . . . 0.0 110.98 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -55.33 -47.84 75.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.92 -43.18 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.54 -42.15 98.41 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.47 -53.04 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 123.763 0.664 . . . . 0.0 110.468 178.808 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.98 -44.1 63.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.53 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.76 -46.53 90.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.448 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.82 -63.89 1.0 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.95 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.84 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -49.59 -48.47 48.81 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.37 -52.49 39.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.48 -68.51 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -176.727 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -64.1 -41.3 97.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.07 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.774 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.43 -26.9 0.94 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.902 0.751 . . . . 0.0 110.542 178.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.31 -52.33 28.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.869 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.92 -45.72 82.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.81 -50.24 72.95 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.851 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.53 -39.77 38.11 Favored Glycine 0 C--N 1.338 0.68 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.42 -66.4 0.41 Allowed 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.185 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.73 -35.51 0.33 Allowed 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.566 1.166 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.19 -70.4 0.99 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 106.371 -2.691 . . . . 0.0 106.371 176.434 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.5 -52.89 7.53 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 124.381 0.695 . . . . 0.0 111.82 177.595 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.64 67.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.401 0.28 . . . . 0.0 110.947 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.36 -49.61 64.0 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.3 -34.09 73.29 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 122.37 0.268 . . . . 0.0 111.306 178.586 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.02 -53.38 58.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 118.731 0.696 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -73.65 -34.42 64.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.801 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.25 -62.79 5.79 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.054 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.22 -39.13 88.29 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -178.566 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -69.67 -30.16 67.77 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.548 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -65.36 -43.87 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.219 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.563 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . . . -63.03 -32.8 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -59.27 -45.24 91.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.321 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 106' ' ' ALA . . . -64.7 -35.62 81.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.435 ' HB1' ' N ' ' A' ' 37' ' ' LYS . . . -58.19 -53.49 57.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.679 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.32 -50.35 71.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.54 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.39 21.03 73.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.616 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -87.69 89.46 8.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.89 -30.14 65.91 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.431 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -29.32 36.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.437 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.803 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . . . -76.69 -33.57 58.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.81 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -66.16 -63.44 1.08 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.2 -31.94 66.63 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.434 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.42 -55.25 5.88 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.547 0.674 . . . . 0.0 110.869 -177.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.503 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -62.34 -44.41 96.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.63 -26.15 66.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.585 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -71.43 -34.75 70.56 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.34 -44.1 95.84 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.572 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -62.38 -35.16 78.3 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.478 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.42 71.21 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.34 -64.37 4.36 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.482 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -48.67 -53.39 18.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.954 0.377 . . . . 0.0 111.927 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.76 -65.93 0.61 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.908 -0.133 . . . . 0.0 111.12 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.32 -63.97 0.97 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.54 -54.42 7.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.809 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -50.62 -59.38 4.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.399 0.28 . . . . 0.0 111.498 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -57.16 -48.54 78.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.65 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.603 -179.489 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.54 -51.76 32.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.09 -39.4 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.353 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.15 -51.31 32.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.48 -46.97 63.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.637 0.586 . . . . 0.0 110.804 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.51 -41.77 97.8 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.16 -29.79 67.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.81 -38.68 89.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.73 -47.24 75.99 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.149 179.651 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.55 -28.32 65.38 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.63 -40.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -62.9 -35.66 80.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -62.8 -65.08 0.74 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.62 -39.4 70.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.76 73.63 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.79 23.27 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.56 -49.11 78.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.198 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.1 -51.45 57.7 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.352 0.661 . . . . 0.0 112.388 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.57 -60.92 2.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.283 0.233 . . . . 0.0 111.263 -178.441 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.53 -20.13 18.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.34 -45.92 16.97 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.022 -179.609 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.0 -34.45 71.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.328 -178.539 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.68 -49.02 8.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -179.523 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.9 -35.33 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -61.91 -41.1 97.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.003 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.36 -30.84 71.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.63 -143.2 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.05 -64.44 0.12 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.992 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -27.0 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.868 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 172.88 -22.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.904 0.127 . . . . 0.0 110.929 -179.308 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.83 -52.14 61.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.194 0.198 . . . . 0.0 111.003 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.67 72.66 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB2' ' HA2' ' A' ' 104' ' ' GLY . . . -50.2 -51.54 43.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.32 0.388 . . . . 0.0 110.969 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.19 -45.1 68.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.203 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.3 -35.65 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.163 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.51 -44.69 81.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.83 -46.7 64.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.959 0.787 . . . . 0.0 109.555 178.086 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.99 65.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.32 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.99 -35.72 81.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.98 -62.47 1.63 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.529 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.773 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -44.89 -44.02 9.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.063 0.852 . . . . 0.0 111.238 177.76 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -54.73 -46.36 74.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.842 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.53 -41.97 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -71.87 -28.94 63.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.115 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.448 -0.552 0 O-C-N 124.137 0.898 . . . . 0.0 108.61 178.266 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.04 -30.17 1.75 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.222 0.951 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.35 -56.95 7.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.643 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.35 -49.58 73.97 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.4 -54.66 37.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.65 -37.77 42.75 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 178.654 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.85 -66.05 0.46 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.864 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.32 -36.33 2.74 Favored 'General case' 0 C--N 1.341 0.223 0 O-C-N 123.878 0.736 . . . . 0.0 111.112 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.16 -72.52 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 107.714 -2.154 . . . . 0.0 107.714 177.796 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.06 -46.66 8.62 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.595 0.82 . . . . 0.0 111.064 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.86 -50.55 66.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 110.238 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.49 -52.0 42.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.727 179.587 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.36 -37.05 79.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.259 0.224 . . . . 0.0 110.845 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.04 -52.62 41.39 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.007 0.432 . . . . 0.0 110.015 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.43 -34.78 63.31 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.372 179.022 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.43 -67.19 2.31 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.208 179.261 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.69 -36.97 93.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.91 76.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.49 -45.01 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 122.738 0.415 . . . . 0.0 110.184 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.57 -36.3 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -51.75 65.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -72.96 -58.0 3.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.418 -178.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -48.04 -54.36 13.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.081 0.552 . . . . 0.0 111.645 -179.211 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.79 -44.88 78.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.07 -11.06 59.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 119.104 -0.474 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -124.34 -110.74 1.89 Allowed Glycine 0 C--N 1.342 0.866 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . . . 178.64 -159.91 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.204 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.527 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -50.15 -28.91 14.25 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -74.74 0.1 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.23 74.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.469 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -62.6 -51.05 68.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.28 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.3 -38.13 67.46 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.3 -63.24 1.1 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.467 -178.647 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.28 -46.59 88.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.756 -178.667 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.15 -26.79 67.59 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.06 -31.34 62.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.61 -46.19 83.69 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.013 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -60.85 -32.4 71.81 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.026 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.31 -89.51 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 178.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -39.6 -30.07 0.18 Allowed Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.599 0.618 . . . . 0.0 114.179 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -59.05 4.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.016 0.908 . . . . 0.0 109.236 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.33 -47.3 77.0 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.49 -45.3 81.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -54.95 -43.6 73.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.582 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.73 -43.78 76.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.77 -37.79 79.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.758 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.31 -34.98 48.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.223 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -63.97 -43.67 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.661 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.8 -50.21 21.63 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.36 -44.97 65.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.418 0.449 . . . . 0.0 110.495 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.56 -42.46 98.87 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.32 -28.5 68.19 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -38.29 89.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -64.09 -41.83 97.15 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -64.73 -22.88 67.08 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.2 -43.58 23.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.96 -26.02 64.84 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.581 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.93 -67.72 0.42 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.66 -28.84 64.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.54 67.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.744 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.85 -40.27 15.01 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -177.67 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.05 -51.61 68.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.815 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.42 -46.88 83.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.08 -60.62 3.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.036 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 39' ' ' GLU . . . -55.21 -20.27 10.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.052 178.247 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -79.98 -45.72 17.95 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.846 -179.139 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -72.11 -33.59 67.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.284 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.29 -53.21 4.22 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.94 -47.38 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.29 77.03 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.652 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -77.8 -21.13 52.07 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 117.59 0.177 . . . . 0.0 110.593 -178.871 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.31 -141.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.35 0.26 . . . . 0.0 110.787 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.83 68.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -160.88 -155.55 0.42 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -143.56 -31.07 0.48 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.846 0.716 . . . . 0.0 109.304 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.21 -45.66 90.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.73 81.65 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.79 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.47 67.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.324 0.39 . . . . 0.0 109.974 179.626 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.24 -47.58 65.66 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 123.332 0.395 . . . . 0.0 110.338 179.47 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -62.93 -35.6 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . . . -65.08 -42.67 93.89 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.2 -41.31 62.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.054 0.846 . . . . 0.0 108.928 177.591 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -56.64 -51.27 69.37 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.85 -34.34 72.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.137 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -56.66 -63.53 1.17 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.83 -40.78 1.03 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.157 0.91 . . . . 0.0 111.203 177.819 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -69.8 -49.55 51.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 178.773 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.68 -55.2 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 C-N-CA 123.369 0.667 . . . . 0.0 109.694 -178.648 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.18 81.18 1.79 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 173.791 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.841 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 -175.71 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 119.708 -0.187 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.88 -40.23 13.62 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 123.59 0.556 . . . . 0.0 111.786 179.255 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.02 -55.56 27.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.636 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.06 -41.61 68.35 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.75 -50.95 70.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.262 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.49 50.84 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.836 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.82 -64.48 0.81 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.679 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.71 -35.96 2.92 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 124.072 0.857 . . . . 0.0 111.156 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.01 -70.44 0.94 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.381 -2.288 . . . . 0.0 107.381 177.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.09 -45.58 16.4 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 124.706 0.886 . . . . 0.0 110.495 177.453 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -52.81 57.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.121 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.68 -46.22 74.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.17 -43.21 92.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.213 0.321 . . . . 0.0 110.615 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.81 -47.09 51.57 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.667 0.604 . . . . 0.0 109.926 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.87 -31.41 61.6 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.213 178.136 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.98 -65.01 3.89 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.9 179.021 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.12 92.09 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -178.776 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -65.74 -35.88 82.0 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.564 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -65.51 -47.02 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.746 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.53 -33.58 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.645 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -65.08 -49.08 71.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.452 179.565 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.644 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . -66.1 -41.54 90.48 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.725 -179.34 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.57 70.17 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.95 -26.64 48.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.183 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . -67.42 -113.58 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.853 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -78.77 -61.54 2.4 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.746 -0.475 . . . . 0.0 112.551 -178.488 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.85 -151.76 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 117.338 0.569 . . . . 0.0 111.356 -178.4 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.83 -18.08 2.56 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.628 -179.533 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.93 -75.42 0.08 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.01 0.405 . . . . 0.0 110.401 179.644 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.622 ' C ' ' HB1' ' A' ' 98' ' ' ALA . . . -61.0 -38.88 87.6 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.493 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 98' ' ' ALA . . . -59.97 -47.48 85.64 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.331 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.26 -35.69 91.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 -178.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.07 -61.2 2.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.37 0.605 . . . . 0.0 109.629 -179.832 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -57.97 -41.15 82.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.75 -17.39 64.53 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.137 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.13 -32.02 39.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.707 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.75 -43.65 98.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 176.149 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.45 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -69.58 -29.27 66.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 177.926 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.57 -46.5 93.62 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.665 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -57.3 -66.51 2.79 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 107.968 -2.053 . . . . 0.0 107.968 178.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.834 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.85 -65.53 0.49 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 179.541 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.77 -72.28 0.13 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.835 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -66.2 0.43 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.718 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -54.04 -35.13 61.64 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.865 -0.112 . . . . 0.0 111.019 -178.243 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.834 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -56.24 -45.04 80.14 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.012 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -75.9 -55.18 5.86 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 122.4 0.28 . . . . 0.0 110.672 -179.505 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.16 -45.91 53.88 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.8 -38.19 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.31 -179.807 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.38 -53.18 14.99 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.8 -43.26 48.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.634 0.584 . . . . 0.0 110.82 179.613 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.73 -46.46 89.55 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.181 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.54 -30.1 68.37 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.121 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.05 -37.16 86.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.23 -41.27 77.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.585 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.87 -25.22 67.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.441 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.77 -46.66 21.01 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.763 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.67 -27.08 68.1 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.78 -66.77 0.51 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.327 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.1 -26.9 67.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.44 -37.23 62.63 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.643 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.84 -39.02 85.88 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.614 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.58 -50.92 72.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.352 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.9 -44.58 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.742 0.417 . . . . 0.0 111.08 178.534 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.34 -62.1 1.82 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.527 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -22.42 11.41 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.413 179.084 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.85 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.17 -44.0 20.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.769 -179.75 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.0 -37.02 75.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.386 -178.769 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.2 -53.0 4.61 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -62.85 -48.36 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.85 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -55.84 -39.51 71.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.631 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.93 -19.2 61.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.871 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -66.51 -146.86 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.349 0.26 . . . . 0.0 110.745 179.433 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 169.03 79.22 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.349 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -179.55 -33.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.635 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 170.11 -24.42 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.288 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -46.67 -50.94 16.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.703 0.627 . . . . 0.0 112.279 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -68.76 0.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.445 0.298 . . . . 0.0 111.785 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -65.79 0.5 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.178 0.299 . . . . 0.0 111.459 -178.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.91 -70.95 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.374 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.49 -49.95 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -60.09 -46.79 88.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 121.89 -0.506 . . . . 0.0 109.657 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.41 -52.79 12.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.766 0.666 . . . . 0.0 110.978 179.661 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.95 71.19 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.142 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -50.8 -56.72 10.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.329 178.455 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -43.83 -57.4 3.28 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.638 1.211 . . . . 0.0 108.68 178.35 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.69 -57.12 1.58 Allowed 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.581 1.176 . . . . 0.0 111.47 176.72 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.15 -47.28 72.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.359 0.527 . . . . 0.0 111.171 178.436 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.45 -34.6 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.252 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.55 60.56 3.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 103.473 -2.788 . . . . 0.0 103.473 173.207 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -176.514 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.452 0.167 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.29 -43.01 7.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.04 0.837 . . . . 0.0 113.093 -178.505 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.11 -61.77 1.95 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.577 0.171 . . . . 0.0 111.235 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.64 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.53 -46.44 66.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.421 0.451 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.04 -46.49 75.31 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.953 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.64 -38.77 83.64 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 178.285 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -65.61 0.53 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.79 0.295 . . . . 0.0 110.611 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -50.18 -38.34 39.26 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 123.609 0.568 . . . . 0.0 109.57 179.722 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.25 -62.6 4.94 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 106.507 -2.637 . . . . 0.0 106.507 177.384 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.48 -41.52 53.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.705 -0.747 . . . . 0.0 109.812 176.411 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -54.48 -53.74 50.21 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.046 0.451 . . . . 0.0 111.311 -179.203 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.562 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.5 -38.91 72.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.73 -41.67 86.98 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.51 -37.32 48.66 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.233 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.745 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.92 -35.75 62.19 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.975 177.26 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.15 -67.86 1.84 Allowed Glycine 0 CA--C 1.523 0.589 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.775 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.76 90.94 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -53.93 -47.06 71.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 117.451 0.626 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.429 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -66.73 -38.92 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.41 -51.75 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.215 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.6 -62.32 1.97 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.516 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.71 -54.01 39.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 122.342 0.257 . . . . 0.0 110.975 -178.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.91 -51.7 28.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.834 0.709 . . . . 0.0 110.078 179.431 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.79 -44.07 69.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.361 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.15 -101.29 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.339 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.71 -160.95 33.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.337 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 74.1 130.79 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.206 0.526 . . . . 0.0 112.003 178.874 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.39 -4.66 80.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.67 -49.49 13.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.94 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -67.85 -39.77 83.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.631 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.727 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -75.58 -23.84 56.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.78 -57.79 2.8 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.6 -43.79 79.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -179.272 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.94 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -61.93 -52.13 65.32 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.634 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -62.9 -24.34 67.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.776 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.49 -35.56 40.01 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.41 -45.43 88.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.746 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.745 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.65 -30.67 70.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.54 -38.64 61.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.82 61.62 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.18 -53.48 19.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.01 -49.38 65.49 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -58.76 6.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.06 56.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 123.282 0.364 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.64 -51.63 66.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -71.31 -51.32 25.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.662 -179.427 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.418 0 O-C-N 123.188 0.305 . . . . 0.0 110.394 -179.633 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -55.95 -56.34 21.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 55.61 52.48 10.99 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -63.69 100.33 0.28 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.21 -54.13 12.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.42 -39.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.97 -47.68 57.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.63 -46.21 63.55 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.649 0.593 . . . . 0.0 110.675 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.86 -42.45 97.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.33 -32.48 70.12 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.36 -38.56 87.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -66.9 -44.06 81.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.049 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.34 -25.8 64.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.45 -37.02 44.59 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.59 -30.77 68.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.66 -67.39 0.45 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.84 -33.57 70.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.33 -22.08 78.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 -41.12 20.73 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 108.659 -1.776 . . . . 0.0 108.659 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.02 -46.63 84.97 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.88 -45.99 90.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.494 0.718 . . . . 0.0 112.754 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.43 -60.68 3.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.989 0.423 . . . . 0.0 109.865 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -20.13 54.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.605 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.45 -42.18 23.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.748 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.92 -31.42 61.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.318 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.88 -46.42 9.52 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.02 -2.432 . . . . 0.0 107.02 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.88 -35.53 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -60.75 -42.11 96.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.54 -74.91 0.19 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.5 61.59 4.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.113 0.565 . . . . 0.0 110.42 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.07 -175.25 0.72 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.802 0.334 . . . . 0.0 110.701 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 174.64 -64.35 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.96 -49.83 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.06 -48.05 80.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.402 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.1 50.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.086 0.155 . . . . 0.0 110.975 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.75 24.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.399 0.437 . . . . 0.0 111.212 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.36 -47.18 69.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.002 0.188 . . . . 0.0 110.527 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 120.652 0.263 . . . . 0.0 111.082 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.2 -43.9 85.47 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -52.8 -46.47 67.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 123.871 0.732 . . . . 0.0 109.935 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.55 -49.83 69.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.84 -39.22 88.25 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.15 -67.99 0.21 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.124 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.48 -42.08 3.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 124.357 1.036 . . . . 0.0 111.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.14 -40.96 78.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -74.18 -46.93 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.78 -60.96 2.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.11 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.55 5.86 16.68 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.934 0.493 . . . . 0.0 111.191 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -50.87 -71.38 0.06 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -176.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 125.08 75.61 0.0 OUTLIER 'General case' 0 C--N 1.343 0.289 0 C-N-CA 126.236 1.814 . . . . 0.0 107.278 -177.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -54.66 -53.1 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.12 77.5 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.554 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.51 . . -174.48 7.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.822 1.681 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -147.9 -2.18 0.56 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.958 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -112.23 92.27 18.37 Favored Pre-proline 0 C--N 1.343 0.286 0 C-N-CA 123.759 0.824 . . . . 0.0 108.841 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.61 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -159.26 -145.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.116 1.877 . . . . 0.0 110.06 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.69 77.79 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.679 0.612 . . . . 0.0 110.442 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -100.55 -131.07 7.25 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -85.9 -48.45 8.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . . . 69.06 79.92 0.2 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -63.62 -55.89 20.12 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.895 ' H ' ' HB3' ' A' ' 72' ' ' ALA . . . -53.36 -31.86 46.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.47 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -54.75 -72.42 0.06 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -138.89 171.24 8.47 Favored Pre-proline 0 N--CA 1.454 -0.267 0 O-C-N 123.994 0.809 . . . . 0.0 109.15 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.51 . . -68.4 150.39 75.79 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 121.9 1.734 . . . . 0.0 110.371 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.29 177.01 45.85 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -65.35 -98.53 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 42.28 -152.81 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.952 0.782 . . . . 0.0 112.51 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 127' ' ' GLU . . . -153.74 -40.92 0.09 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.36 136.83 8.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' CB ' ' H ' ' A' ' 60' ' ' SER . . . -157.09 -61.53 0.09 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.895 ' HB3' ' H ' ' A' ' 62' ' ' THR . . . -93.15 -17.7 23.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.795 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -56.43 -83.18 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 118.551 0.614 . . . . 0.0 111.011 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 44.38 -48.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.795 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 61.71 92.76 0.05 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -177.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.893 ' HB1' ' CB ' ' A' ' 80' ' ' ASP . . . 140.2 109.89 0.0 OUTLIER 'General case' 0 C--N 1.34 0.194 0 O-C-N 125.203 1.564 . . . . 0.0 107.205 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -54.84 172.75 0.1 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 122.082 0.153 . . . . 0.0 110.764 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -43.57 -32.32 0.91 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 123.744 0.652 . . . . 0.0 111.356 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -72.46 -58.88 3.03 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.981 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.893 ' CB ' ' HB1' ' A' ' 76' ' ' ALA . . . -55.97 -48.42 75.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.38 -47.77 75.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.86 -39.19 61.56 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.39 -67.42 0.27 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.189 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.5 -34.85 1.46 Allowed 'General case' 0 C--N 1.341 0.235 0 O-C-N 123.94 0.775 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.44 -73.2 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 106.958 -2.457 . . . . 0.0 106.958 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.24 -46.83 12.69 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.321 0.659 . . . . 0.0 111.279 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.31 -49.13 64.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.36 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.28 -42.71 77.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.12 -40.29 89.2 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.062 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.94 -47.02 61.12 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.51 70.51 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.609 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.84 -67.31 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.666 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.09 -37.68 91.85 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.19 78.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.629 0.714 . . . . 0.0 110.393 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.73 -44.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.555 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -61.91 -36.63 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.91 78.3 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.2 75.24 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . . . -58.4 -52.19 66.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -67.03 -52.76 38.38 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -22.33 13.87 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 78.08 16.76 79.34 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.606 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -83.29 86.79 6.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -29.62 57.83 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.61 -29.32 36.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -75.63 -36.09 60.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.263 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.03 -26.58 39.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 122.52 0.328 . . . . 0.0 110.562 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.26 -45.17 10.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.55 -39.03 65.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.39 69.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.67 -27.64 69.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 122.487 0.315 . . . . 0.0 111.387 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.36 -32.83 64.74 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.18 -41.1 98.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -69.36 -30.55 68.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.74 -52.36 51.22 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -73.91 -18.93 79.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.61 -61.0 1.94 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.05 -47.83 84.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.5 -46.69 76.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -52.73 -41.26 63.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.413 0.446 . . . . 0.0 110.126 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -58.55 -53.95 52.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.31 -39.78 80.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -63.73 -23.44 67.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -76.33 -54.28 6.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.765 ' O ' ' N ' ' A' ' 127' ' ' GLU . . . -77.47 47.67 0.6 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -56.05 59.54 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.765 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -60.17 173.84 0.6 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -75.79 -60.56 2.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 116.975 -1.488 . . . . 0.0 109.756 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -75.49 179.6 5.17 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 175.92 -68.92 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -160.71 60.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.18 -41.56 57.73 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.23 -42.19 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.452 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.86 -52.33 25.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -48.78 -46.37 41.38 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.813 0.696 . . . . 0.0 111.175 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.58 -45.33 94.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.98 -29.9 67.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.01 -38.66 92.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.67 -41.8 78.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.199 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.73 -26.16 66.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.12 -40.32 46.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.07 -29.4 68.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.91 -67.38 0.46 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.28 -31.24 68.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.3 78.72 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.24 -40.57 19.62 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.51 -46.98 85.62 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.67 -47.47 82.22 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.529 0.731 . . . . 0.0 112.815 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.43 -61.91 1.93 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 110.71 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -22.06 56.18 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.392 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.674 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.3 -43.06 21.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.772 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.14 -34.22 65.97 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 122.618 0.367 . . . . 0.0 111.185 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.87 -46.84 12.82 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.72 -2.152 . . . . 0.0 107.72 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.23 -33.51 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -61.88 -43.48 98.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.373 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.27 -76.33 0.16 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 119.851 -0.118 . . . . 0.0 110.811 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.48 62.77 6.09 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.959 0.504 . . . . 0.0 109.884 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.78 -176.24 1.03 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 110.754 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 174.43 -64.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 169.61 -49.98 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.86 -49.51 72.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -54.99 39.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.061 0.144 . . . . 0.0 111.273 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.93 39.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.299 0.374 . . . . 0.0 111.063 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.42 -46.16 66.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.141 0.276 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -65.63 -36.3 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 111.134 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.97 -45.11 78.7 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.65 67.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.74 0.65 . . . . 0.0 109.61 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.31 -50.55 71.13 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.94 -37.14 81.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.58 -70.25 0.11 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.744 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.01 -41.08 1.58 Allowed 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.186 0.928 . . . . 0.0 112.484 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -60.77 -40.14 91.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.42 -48.62 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.21 -54.04 18.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.643 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.12 9.09 7.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.763 0.425 . . . . 0.0 111.966 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -47.6 -67.88 0.24 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -177.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 98.78 58.7 0.0 OUTLIER 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.189 1.396 . . . . 0.0 107.469 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.725 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -45.68 -32.14 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.08 64.76 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.546 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.725 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.508 . . -174.85 -13.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 121.701 1.601 . . . . 0.0 111.145 -179.526 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -98.63 -66.32 0.91 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.436 0.694 . . . . 0.0 109.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -70.07 16.36 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.548 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -73.11 -151.44 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 121.545 1.496 . . . . 0.0 108.512 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.62 90.61 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -143.83 -33.92 0.09 OUTLIER Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.166 -1.573 . . . . 0.0 109.166 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -158.71 -70.4 0.09 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 58.59 91.85 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.329 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.911 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . . . 55.77 53.43 9.44 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.47 159.21 0.23 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 171.28 -76.5 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -172.16 -55.27 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.513 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' CB ' ' CB ' ' A' ' 70' ' ' ALA 2.509 . . 63.11 26.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.349 2.033 . . . . 0.0 110.699 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -142.52 -45.14 0.05 OUTLIER Glycine 0 C--N 1.338 0.678 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -71.25 -150.2 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -77.5 155.02 31.94 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 67.96 152.6 0.09 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 72' ' ' ALA . . . 173.81 54.5 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.79 ' O ' ' O ' ' A' ' 125' ' ' TYR . . . -67.52 42.33 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.697 ' HB3' ' C ' ' A' ' 125' ' ' TYR . . . 64.91 17.92 11.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 177.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 43.73 13.48 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . 68.59 -147.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -146.88 34.24 0.92 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.911 ' HB2' ' CB ' ' A' ' 61' ' ' SER . . . 49.38 20.7 0.48 Allowed 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 124.468 1.105 . . . . 0.0 109.177 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -87.53 67.09 9.26 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.156 0.582 . . . . 0.0 110.291 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -37.25 4.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 124.106 0.879 . . . . 0.0 111.691 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.28 -62.21 1.48 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.68 -49.21 65.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.36 -45.77 76.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.0 -39.34 78.99 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.75 -66.58 0.37 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.467 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -48.01 -36.04 12.06 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 123.701 0.625 . . . . 0.0 109.979 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.61 -66.66 2.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 106.852 -2.499 . . . . 0.0 106.852 177.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.52 -43.21 35.02 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.326 0.662 . . . . 0.0 110.325 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -52.7 -52.39 56.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.013 0.435 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.34 -40.32 74.28 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.03 -41.56 83.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.42 -38.52 53.99 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.81 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.05 -37.51 64.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.968 177.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.47 -64.72 3.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.424 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.59 -39.17 96.56 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.44 -44.4 72.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 117.181 0.49 . . . . 0.0 110.292 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.0 -40.95 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.38 -50.4 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.4 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.166 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.91 68.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -55.75 -49.03 74.21 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.45 -38.16 58.61 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.349 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -104.25 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.22 -55.19 0.19 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.09 126.81 2.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.34 -4.59 89.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.23 -44.35 17.9 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.63 63.09 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.486 -1.233 . . . . 0.0 108.115 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.73 -62.52 1.82 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.67 92.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.13 -58.68 5.4 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.9 -39.29 74.14 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.68 -22.01 66.09 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.495 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.69 -33.93 40.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.21 -42.23 94.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.81 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.55 -29.12 67.61 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.61 -40.73 94.17 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -80.07 -23.34 61.6 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.75 -57.85 5.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.94 -46.99 86.88 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.69 -45.58 81.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -55.26 -44.53 75.68 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.59 -48.8 68.9 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -66.55 -36.48 82.78 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.94 -31.0 62.54 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.12 -59.52 2.75 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.79 ' O ' ' O ' ' A' ' 71' ' ' LYS . . . -77.86 51.47 0.95 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -161.59 66.15 0.27 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.52 ' H ' ' HB2' ' A' ' 72' ' ' ALA . . . 69.96 178.86 0.25 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 68.51 -59.67 0.45 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.809 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -56.13 -70.17 0.12 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 67.13 -160.1 0.23 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -156.66 48.58 0.46 Allowed 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -80.09 -30.81 39.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -64.64 -48.06 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.95 -50.39 35.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.35 -45.18 54.9 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.744 0.652 . . . . 0.0 111.004 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.99 -43.63 98.44 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.44 -30.34 68.42 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.96 -38.09 89.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.99 -43.28 79.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.202 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.68 -26.06 65.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.3 -35.97 47.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.78 -26.37 62.4 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -69.08 -68.08 0.43 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.3 -29.65 70.0 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.48 -23.13 76.23 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.57 -39.99 24.05 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.02 -51.09 71.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.41 -42.31 77.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.184 0.594 . . . . 0.0 112.106 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.9 -63.96 0.99 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.008 0.433 . . . . 0.0 110.101 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -55.78 -23.68 31.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.42 -45.77 17.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.517 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.22 -34.31 70.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.561 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.43 -50.91 5.16 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.63 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -59.12 -45.31 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -65.25 -37.78 88.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.647 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.04 -31.69 56.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.46 -118.97 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.56 -162.26 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.76 74.37 1.21 Allowed 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 123.845 0.716 . . . . 0.0 110.009 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.82 -88.57 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.76 -50.36 69.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -56.73 -50.56 71.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 122.474 -0.141 . . . . 0.0 110.798 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.42 64.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.282 0.363 . . . . 0.0 110.234 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.64 -49.25 62.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.292 0.37 . . . . 0.0 110.989 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -36.08 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.87 -43.43 92.98 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -52.96 -42.62 65.67 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.733 0.645 . . . . 0.0 109.531 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.54 -50.38 72.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.3 -38.28 79.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.57 -64.02 0.96 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.26 -46.92 2.38 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.121 0.969 . . . . 0.0 112.409 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.13 -39.77 75.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.86 -37.33 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -44.23 -49.59 9.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 124.508 1.13 . . . . 0.0 110.862 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.98 84.06 0.5 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -58.71 -174.82 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.323 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . 158.36 35.34 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -61.65 -53.0 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.545 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 54' ' ' LEU . . . -66.13 -49.65 54.85 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.506 . . -55.84 -2.76 0.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.966 1.777 . . . . 0.0 110.664 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 52' ' ' ALA . . . -56.05 -40.49 73.59 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' CB ' ' CB ' ' A' ' 6' ' ' VAL . . . 170.35 149.19 0.15 Allowed Pre-proline 0 N--CA 1.455 -0.176 0 O-C-N 123.205 0.316 . . . . 0.0 111.825 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -70.5 67.39 2.17 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 N-CA-C 106.079 -2.316 . . . . 0.0 106.079 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.744 ' HB1' ' CB ' ' A' ' 61' ' ' SER . . . 63.22 178.51 0.15 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.6 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.16 112.93 2.9 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 107.43 -2.268 . . . . 0.0 107.43 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 65.69 13.71 9.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -175.85 80.66 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.744 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . 169.45 -28.62 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -147.2 -143.09 0.13 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -158.57 170.9 21.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -159.48 65.26 2.62 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.143 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 64.19 -46.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.9 1.734 . . . . 0.0 110.223 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . -158.88 41.29 0.49 Allowed Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -77.29 159.81 29.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 65.02 175.75 0.2 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -65.0 -59.82 3.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 174.86 70.6 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 176.98 44.97 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.87 -30.33 63.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.243 0.217 . . . . 0.0 111.112 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.618 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . -53.37 -21.17 5.39 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -61.5 16.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 119.114 -0.47 . . . . 0.0 111.622 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.618 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -113.79 -13.09 12.66 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.968 0.907 . . . . 0.0 110.142 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.27 3.92 41.12 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.724 0.41 . . . . 0.0 111.495 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -158.62 57.44 0.44 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.64 0.2 . . . . 0.0 110.776 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.81 -34.98 4.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.863 0.727 . . . . 0.0 111.733 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.07 -56.86 7.35 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.633 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.34 -46.43 72.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.73 -46.46 81.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.64 65.19 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.51 -66.13 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.113 -0.47 . . . . 0.0 110.065 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.03 -34.86 1.87 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.236 0.96 . . . . 0.0 110.781 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.15 1.79 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 106.633 -2.587 . . . . 0.0 106.633 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.61 -47.06 40.29 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.292 0.642 . . . . 0.0 110.973 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.5 49.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.45 0.3 . . . . 0.0 111.363 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.77 -37.78 71.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.548 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.1 -43.03 61.01 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.622 0.725 . . . . 0.0 109.336 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.69 -33.62 62.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.712 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.75 -64.79 4.06 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.206 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.4 -36.67 89.42 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -55.62 -37.76 68.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.483 0.641 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -74.23 -41.96 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.61 -52.08 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.86 67.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.577 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.38 67.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -56.17 -51.26 68.66 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.09 -51.62 15.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.6 -27.67 50.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.16 78.57 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.523 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -83.84 85.87 7.24 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.63 -25.52 55.64 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.9 -31.91 34.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.685 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -74.84 -36.09 62.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.115 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.432 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -80.13 -25.16 40.0 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.03 -47.39 9.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.54 -32.14 69.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -65.11 -57.9 7.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.49 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.27 -25.97 67.45 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.96 -33.11 59.77 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.1 -44.2 87.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -74.09 -26.53 60.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.58 13.57 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.77 -18.72 74.73 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.37 -56.97 7.55 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.2 -46.77 82.48 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.45 -50.0 72.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.47 75.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.065 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.82 -47.2 74.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -71.94 -36.41 69.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -65.63 -26.02 67.63 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -79.74 -67.03 0.8 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -77.32 -66.68 0.8 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -55.63 165.04 0.92 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 173.34 179.41 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 55.44 59.0 4.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 117.04 -1.457 . . . . 0.0 109.771 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -171.12 -61.81 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.601 ' C ' ' H ' ' A' ' 5' ' ' GLU . . . -170.49 -172.66 1.28 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 68.32 -23.86 0.13 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.601 ' H ' ' C ' ' A' ' 3' ' ' THR . . . -70.36 -50.62 37.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.31 -38.61 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.11 -48.81 50.08 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.24 -48.09 65.37 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.477 0.486 . . . . 0.0 110.896 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.45 -38.95 89.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.29 -32.3 71.07 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.63 -38.48 91.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.17 -46.29 87.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.846 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.48 -28.07 65.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.85 -37.03 67.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.85 -39.62 93.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.1 -64.31 0.99 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -54.53 -36.33 64.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.34 -71.79 0.69 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.78 -43.55 2.39 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.393 0.997 . . . . 0.0 114.115 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.84 -54.8 41.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.115 1.458 . . . . 0.0 108.227 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.0 -49.17 42.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.274 0.63 . . . . 0.0 112.145 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.32 -57.67 7.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.86 69.61 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.278 0.561 . . . . 0.0 110.188 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -78.0 -34.61 50.67 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.517 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.47 -58.48 3.93 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.625 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.93 -41.98 99.77 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.97 -37.22 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -68.94 -40.54 78.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.38 -16.68 53.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.504 0.322 . . . . 0.0 110.533 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.92 -142.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.271 0.228 . . . . 0.0 110.574 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.95 61.72 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -157.41 -152.74 0.37 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.65 -26.56 0.41 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 123.676 0.61 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -59.21 -50.14 75.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.88 78.2 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.99 61.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 123.416 0.448 . . . . 0.0 110.169 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.94 -47.14 68.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -60.84 -35.74 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.2 -43.4 91.68 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.45 -44.95 62.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.245 0.965 . . . . 0.0 109.112 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -53.84 -51.07 64.74 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.63 -34.28 75.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.46 -59.91 4.16 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.83 -42.46 1.81 Allowed 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.914 1.384 . . . . 0.0 109.452 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -56.49 -46.05 80.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -63.19 -47.38 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.41 66.75 4.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.818 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.49 -132.67 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -172.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.89 -148.63 0.07 Allowed 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 171.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -83.65 107.08 15.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -54.05 -39.36 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.497 0.189 . . . . 0.0 110.61 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.04 68.5 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.5 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.665 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -157.83 12.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.217 1.945 . . . . 0.0 111.234 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -83.98 -10.04 58.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.615 0.366 . . . . 0.0 110.393 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 78.2 -121.49 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.033 0.533 . . . . 0.0 110.075 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.554 ' O ' ' N ' ' A' ' 58' ' ' GLY 2.503 . . -177.34 -51.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 121.114 1.209 . . . . 0.0 111.446 -179.598 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.34 79.66 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.343 0.257 . . . . 0.0 110.993 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -158.68 96.2 0.15 Allowed Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.435 ' CB ' ' CB ' ' A' ' 67' ' ' GLN . . . 74.4 -87.71 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.871 0.468 . . . . 0.0 111.672 178.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 62' ' ' THR . . . 72.59 109.46 0.07 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 65' ' ' PRO . . . -54.82 50.47 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.825 ' N ' ' O ' ' A' ' 60' ' ' SER . . . -179.6 -54.24 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -69.7 -16.96 63.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.701 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -166.62 68.85 1.04 Allowed Pre-proline 0 N--CA 1.45 -0.473 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.672 ' O ' ' HA ' ' A' ' 61' ' ' SER 2.513 . . 55.49 -90.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 122.012 1.808 . . . . 0.0 110.023 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.68 113.4 0.29 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.435 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -50.72 165.07 0.11 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.542 0.337 . . . . 0.0 111.397 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -60.07 -44.53 94.68 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -154.63 79.28 1.08 Allowed 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.411 0.444 . . . . 0.0 110.072 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 172.81 168.66 0.13 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -165.56 124.81 1.7 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.554 ' HB3' ' CB ' ' A' ' 60' ' ' SER . . . -79.91 -46.15 17.28 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.86 100.81 11.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.43 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . -118.69 57.89 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 O-C-N 124.37 1.044 . . . . 0.0 109.309 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 51.18 -88.91 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.553 0.533 . . . . 0.0 110.408 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.949 ' HB1' ' CB ' ' A' ' 80' ' ' ASP . . . -49.59 118.83 3.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.614 0.571 . . . . 0.0 110.256 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -57.33 -179.74 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.706 0.402 . . . . 0.0 111.505 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.01 -38.4 3.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.311 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.83 -61.69 1.69 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.949 ' CB ' ' HB1' ' A' ' 76' ' ' ALA . . . -54.27 -48.7 70.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.47 -46.65 76.83 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.79 60.58 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -63.79 1.04 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.39 -36.47 1.94 Allowed 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.952 0.782 . . . . 0.0 111.362 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.57 -67.28 2.26 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 106.543 -2.623 . . . . 0.0 106.543 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.58 -50.81 16.84 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.402 0.707 . . . . 0.0 111.235 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.98 22.07 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 122.46 0.304 . . . . 0.0 111.174 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.34 -41.91 69.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.77 -42.2 78.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.492 177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.48 -44.65 62.53 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.681 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -70.23 -36.51 74.58 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.425 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.25 -67.95 1.95 Allowed Glycine 0 CA--C 1.525 0.662 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.17 97.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -53.85 -37.34 63.54 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 117.289 0.544 . . . . 0.0 110.137 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -71.41 -41.13 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.09 -53.23 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.67 -48.15 80.31 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.73 68.3 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -59.39 -51.48 69.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.51 -51.8 52.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.412 0.445 . . . . 0.0 110.507 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.32 174.31 11.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.92 21.81 44.08 Favored Glycine 0 C--N 1.339 0.702 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -78.32 61.84 2.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.784 0.292 . . . . 0.0 110.606 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.71 -27.24 70.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.26 -63.27 1.14 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -69.71 -9.63 55.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.0 -31.5 39.73 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.99 -41.26 23.08 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 107.423 -2.271 . . . . 0.0 107.423 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.87 77.62 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.49 -47.1 83.15 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.09 -29.68 70.48 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 122.367 0.267 . . . . 0.0 110.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.33 -31.76 65.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.681 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -66.4 -27.61 67.98 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.79 -50.75 45.61 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -73.5 -24.05 75.74 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.8 -58.16 5.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.45 -48.89 79.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.17 -43.2 78.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -53.57 -47.02 70.47 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.06 -50.73 70.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -59.35 -39.11 82.15 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -69.29 -25.79 64.42 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -78.7 -59.5 2.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.43 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -73.44 -71.43 0.31 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 58.35 -169.8 0.12 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 69.77 77.88 0.2 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.03 59.21 0.3 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.786 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -73.73 -61.67 1.76 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -76.96 -65.6 0.93 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 61.58 79.38 0.25 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.05 -39.08 63.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.09 -46.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.675 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.09 -51.43 21.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.76 -44.77 63.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.477 0.486 . . . . 0.0 110.922 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -28.51 68.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -37.92 88.4 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.16 -45.04 71.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.05 -25.6 61.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.05 -36.06 36.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.7 -25.13 61.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -73.29 -69.09 0.44 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.85 -32.77 67.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.78 -28.63 64.65 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.58 -38.91 68.39 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.024 -2.031 . . . . 0.0 108.024 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.14 -52.11 66.74 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.31 -49.91 41.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 112.839 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.12 -61.29 2.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.278 0.231 . . . . 0.0 111.343 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.67 -27.23 38.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -79.01 -37.03 40.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.215 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.32 -38.87 71.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.425 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.14 -45.2 41.62 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.484 -1.846 . . . . 0.0 108.484 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.51 -42.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.85 72.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.65 -33.98 77.15 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -99.11 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.85 -96.8 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.01 51.39 0.6 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.63 -133.94 0.33 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 124.435 1.084 . . . . 0.0 112.176 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -66.06 -38.9 89.51 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.975 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.88 29.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.6 -55.28 20.15 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.372 -0.347 . . . . 0.0 111.253 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.29 -52.01 48.99 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.278 0.361 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.54 -37.96 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.002 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.95 -43.37 92.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -51.19 -46.14 62.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.225 0.953 . . . . 0.0 109.698 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.89 71.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.48 -38.22 86.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.9 -62.62 1.54 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.26 -47.81 4.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 124.165 0.915 . . . . 0.0 111.939 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.36 -43.97 68.2 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.823 0.344 . . . . 0.0 110.083 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -69.7 -36.78 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -50.26 -54.31 22.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.713 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.47 77.69 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . -57.13 -179.21 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.075 -177.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . 165.27 28.52 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.242 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -88.25 110.95 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.761 ' O ' ' O ' ' A' ' 56' ' ' PRO . . . 158.1 -49.27 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.468 . . -82.98 -3.65 11.12 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 124.366 3.377 . . . . 0.0 111.357 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -62.03 -31.59 72.0 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -150.81 50.25 0.69 Allowed Pre-proline 0 N--CA 1.453 -0.312 0 O-C-N 123.54 0.525 . . . . 0.0 109.634 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.761 ' O ' ' O ' ' A' ' 52' ' ' ALA . . . 59.24 -107.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 121.261 1.308 . . . . 0.0 108.982 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.25 21.87 4.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.981 0.512 . . . . 0.0 109.891 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.781 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 84.94 39.57 8.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 53.17 -61.93 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.781 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 72.25 75.74 0.16 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -61.49 -176.93 0.08 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.84 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -164.27 20.24 0.06 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.83 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 62.16 44.37 7.87 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.596 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -144.78 59.68 6.56 Favored Pre-proline 0 N--CA 1.453 -0.317 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -161.74 -170.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.437 2.091 . . . . 0.0 109.097 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.4 33.79 0.19 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -82.51 175.36 10.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -150.81 156.57 41.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 123.585 0.553 . . . . 0.0 110.955 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 171.34 -45.84 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.1 -86.19 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -140.85 -16.25 0.88 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 117.587 -1.197 . . . . 0.0 109.788 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 73' ' ' ALA . . . -10.35 123.14 0.01 OUTLIER 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.574 1.95 . . . . 0.0 113.196 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 72' ' ' ALA . . . 154.37 -72.17 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -175.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 76' ' ' ALA . . . 58.11 -115.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.709 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 76.07 -36.31 0.28 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 74' ' ' ILE . . . -68.66 78.71 0.29 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.228 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 71.51 69.28 0.16 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.84 -35.7 24.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 123.483 0.489 . . . . 0.0 109.984 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.09 -54.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.58 -39.65 68.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.0 -48.8 75.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.03 62.38 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.14 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.13 14.2 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 123.498 0.499 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.88 -70.92 0.78 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.773 -2.131 . . . . 0.0 107.773 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.05 -44.28 31.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.382 0.695 . . . . 0.0 110.589 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.58 64.13 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 110.732 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.35 -44.41 72.11 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.33 -41.14 92.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.79 -44.46 48.97 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.72 -34.86 62.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.846 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.68 -65.62 3.31 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 114.097 -1.41 . . . . 0.0 110.839 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.35 83.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.46 91.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.326 0.563 . . . . 0.0 109.888 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.21 -45.53 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -61.95 -39.77 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.54 72.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.08 93.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.567 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.26 -53.86 52.21 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -65.03 -51.2 62.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.86 -18.97 5.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.4 14.61 82.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -82.96 86.18 7.02 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.88 -25.64 53.16 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.84 35.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -71.12 -34.81 71.41 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.05 -25.92 39.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.594 0.358 . . . . 0.0 110.599 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.75 -50.79 6.81 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.91 -37.78 82.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.38 -56.66 14.53 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.557 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -55.97 -30.9 62.45 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.073 0.549 . . . . 0.0 112.214 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.87 -33.23 63.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -57.61 -44.45 85.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.502 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.23 -26.84 61.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.883 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.71 11.05 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.27 -23.12 74.7 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -57.97 7.0 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.19 -46.99 75.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.58 -53.87 51.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.23 68.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.422 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.62 -45.94 70.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 123.172 0.295 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.71 -40.09 66.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -61.7 -32.63 72.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -76.05 -44.66 38.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -54.88 -67.76 0.24 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 175.52 -51.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 69.38 -177.53 0.21 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -55.66 -62.41 1.71 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.736 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -162.74 -62.66 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 175.38 -61.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.7 -35.65 66.31 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.43 -47.24 57.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.71 -34.09 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.54 -50.75 16.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.34 -43.88 64.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.429 0.456 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.2 -42.84 99.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.61 -28.44 67.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.98 -38.74 89.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.92 -45.27 82.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.3 -22.71 65.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.09 -43.16 22.25 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.35 -22.28 65.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -74.44 -66.15 0.77 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.8 -36.41 74.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.6 -39.18 56.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.13 -42.27 96.59 Favored Glycine 0 C--N 1.335 0.505 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -50.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.88 -50.2 46.71 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.137 0.575 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.6 -61.72 2.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.361 0.264 . . . . 0.0 111.369 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.26 46.6 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 123.787 0.68 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -69.21 -39.81 78.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.492 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.78 -46.64 52.24 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.52 -49.66 18.41 Favored Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -55.25 -51.89 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HA3' ' A' ' 108' ' ' GLY . . . -61.48 -28.6 69.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.09 -31.19 55.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -114.59 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -89.61 -166.43 1.59 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.34 81.33 1.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.022 0.826 . . . . 0.0 111.525 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.69 -88.11 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -68.9 -40.98 78.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.17 34.7 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.089 ' HB1' ' HB1' ' A' ' 99' ' ' ALA . . . -51.44 -44.41 62.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 122.618 0.367 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.57 -46.53 80.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -58.96 -40.28 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.693 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.17 -43.22 87.52 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 105.647 -1.982 . . . . 0.0 105.647 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.39 -46.08 62.72 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.231 0.957 . . . . 0.0 110.026 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.49 72.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -46.19 91.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -49.58 -64.69 0.73 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.167 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.54 -46.19 4.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 124.646 1.216 . . . . 0.0 111.926 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.86 -39.6 65.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.07 -39.91 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.241 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.94 -51.59 67.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.11 -83.58 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -38.6 125.24 1.39 Allowed 'General case' 0 C--N 1.341 0.233 0 O-C-N 125.259 1.6 . . . . 0.0 109.959 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -87.59 155.92 19.74 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.697 -1.138 . . . . 0.0 113.419 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' A' ' 53' ' ' PRO . . . -71.75 -43.12 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.548 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.27 1.72 0.02 OUTLIER Pre-proline 0 N--CA 1.447 -0.59 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.448 ' N ' ' C ' ' A' ' 51' ' ' VAL . . . -70.87 -5.1 16.14 Favored 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 121.928 1.752 . . . . 0.0 110.7 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -139.18 9.61 2.53 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.424 0.69 . . . . 0.0 110.262 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -163.29 167.31 11.72 Favored Pre-proline 0 N--CA 1.45 -0.446 0 CA-C-N 117.687 0.222 . . . . 0.0 111.138 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.513 . . 147.95 -39.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.763 2.975 . . . . 0.0 108.37 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.03 105.11 2.52 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.37 80.07 0.73 Allowed Glycine 0 C--N 1.336 0.53 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -177.54 37.22 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -173.89 -171.96 0.69 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -177.37 -154.44 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 121.232 -0.187 . . . . 0.0 110.985 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -88.88 -93.9 0.11 Allowed 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 123.681 0.613 . . . . 0.0 110.1 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -151.49 165.11 35.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 58.78 85.43 0.18 Allowed Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.527 . . 79.96 176.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 122.233 1.955 . . . . 0.0 107.097 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.97 170.22 13.08 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -80.52 -172.07 3.39 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 86.36 65.02 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.404 1.082 . . . . 0.0 111.381 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 51.12 -163.83 0.06 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.271 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.745 ' O ' ' N ' ' A' ' 72' ' ' ALA . . . -55.16 -69.04 0.14 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.865 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -56.64 61.91 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.745 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -75.65 123.67 25.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 72' ' ' ALA . . . 170.72 -90.83 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 82.15 -175.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 C-N-CA 123.291 0.637 . . . . 0.0 111.585 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.505 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . 169.58 127.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 75' ' ' TRP . . . 91.33 144.02 0.03 OUTLIER 'General case' 0 C--N 1.339 0.112 0 O-C-N 124.606 1.191 . . . . 0.0 110.613 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -46.25 149.49 0.72 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -52.69 -25.9 12.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.773 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.7 -54.62 40.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.22 -41.95 76.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.48 -48.47 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.88 65.14 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.25 -63.75 1.05 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.71 -34.94 8.92 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.77 0.669 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.13 -69.56 1.2 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.652 -2.179 . . . . 0.0 107.652 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.01 -48.58 43.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.031 -0.584 . . . . 0.0 111.34 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.53 67.0 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.063 0.459 . . . . 0.0 110.437 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.1 -49.52 63.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.374 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.32 -39.31 82.72 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.237 -0.411 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -49.27 -48.03 46.27 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.364 0.602 . . . . 0.0 109.417 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -34.6 63.36 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.468 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -50.96 -67.92 1.72 Allowed Glycine 0 CA--C 1.534 1.254 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.534 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.14 60.41 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -64.01 -37.81 88.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.462 0.631 . . . . 0.0 109.43 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.69 -45.02 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.0 -38.7 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.09 -51.53 69.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.33 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -73.04 -36.53 66.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 1.089 ' HB1' ' HB1' ' A' ' 36' ' ' ALA . . . -62.61 -55.05 30.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.114 0.166 . . . . 0.0 110.807 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -71.37 -70.25 0.33 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.741 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.05 84.07 5.84 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.355 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 49.74 -169.5 0.19 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.719 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 59.35 47.99 10.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 122.403 0.281 . . . . 0.0 111.267 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.23 -27.09 74.07 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.27 -50.73 17.74 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.35 -16.35 64.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.479 ' O ' ' HB3' ' A' ' 110' ' ' ALA . . . -69.95 -68.53 0.41 Allowed 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.504 ' HA3' ' HB1' ' A' ' 28' ' ' ALA . . . -50.45 -39.69 37.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.63 98.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 107' ' ' PHE . . . -61.29 -42.96 99.53 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.876 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -69.14 -19.75 64.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 122.878 0.471 . . . . 0.0 110.931 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -77.84 -34.72 51.72 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.02 -43.2 86.58 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.8 -27.89 64.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 -49.24 49.1 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -77.41 -21.86 71.74 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.13 -56.0 7.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.55 -48.7 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.67 -54.0 47.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -51.58 -44.53 62.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.348 0.405 . . . . 0.0 110.35 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.38 -56.62 18.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -56.85 -41.47 77.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.92 66.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 123.206 0.317 . . . . 0.0 110.157 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -64.62 -45.7 85.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -56.16 -70.83 0.1 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 175.46 -63.45 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 68.35 178.17 0.25 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.12 -179.99 0.13 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.029 -1.463 . . . . 0.0 109.846 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.689 ' O ' ' N ' ' A' ' 4' ' ' LYS . . . 175.47 -179.43 0.13 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -53.5 69.93 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -158.51 62.7 0.43 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -72.23 -48.46 42.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.91 -42.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.68 -50.6 34.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -49.48 -48.05 48.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.667 0.604 . . . . 0.0 111.298 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.19 -42.14 98.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -31.12 68.73 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.4 93.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.64 -41.61 98.22 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.102 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.25 -27.03 68.71 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.9 -34.91 62.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.11 -38.36 75.6 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -60.46 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.79 -32.01 67.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.54 -77.78 0.15 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 108.501 -1.84 . . . . 0.0 108.501 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.97 -42.38 2.23 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.614 1.102 . . . . 0.0 115.198 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.7 -51.54 69.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.665 1.733 . . . . 0.0 108.253 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.4 -48.9 71.05 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.137 0.575 . . . . 0.0 111.993 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.47 -57.77 10.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -18.36 21.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -80.47 -47.79 13.8 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.51 -30.3 68.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.49 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.1 -48.66 6.36 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 31' ' ' PHE . . . -62.31 -35.82 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -42.11 87.15 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.717 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -76.07 0.14 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.92 66.48 9.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 27' ' ' VAL . . . -47.66 151.56 0.83 Allowed 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.726 0.641 . . . . 0.0 111.564 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -160.61 -7.56 0.05 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.447 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 77.02 -51.93 0.56 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.94 0.496 . . . . 0.0 110.282 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.62 -48.9 77.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.008 0.123 . . . . 0.0 110.693 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.6 80.09 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.47 68.5 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -50.5 -48.06 57.05 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.328 0.392 . . . . 0.0 111.051 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.35 -28.81 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -68.99 -45.05 71.58 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.06 -41.55 68.27 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.28 -51.56 67.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.33 -36.77 78.73 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.03 -65.92 0.49 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.66 -46.73 2.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.297 1.039 . . . . 0.0 112.799 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.74 -38.82 72.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 49' ' ' THR . . . -71.35 -40.35 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.03 -49.32 51.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.806 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.9 -75.47 0.18 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 46' ' ' ILE . . . -39.11 113.57 0.32 Allowed 'General case' 0 C--N 1.343 0.289 0 O-C-N 125.481 1.738 . . . . 0.0 108.804 176.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -86.16 152.64 22.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.81 -1.086 . . . . 0.0 113.548 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -67.84 -39.33 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.71 96.15 0.13 Allowed Pre-proline 0 N--CA 1.447 -0.609 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.517 . . -167.86 -1.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 123.133 2.555 . . . . 0.0 110.276 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -85.31 1.62 47.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . 167.66 171.07 0.1 OUTLIER Pre-proline 0 N--CA 1.454 -0.266 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.523 . . -57.81 -68.68 0.05 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.018 0 N-CA-C 106.469 -2.166 . . . . 0.0 106.469 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' THR . . . -153.67 -178.96 7.37 Favored 'General case' 0 N--CA 1.446 -0.648 1 N-CA-C 100.085 -4.043 . . . . 0.0 100.085 175.654 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.46 -79.31 0.08 OUTLIER Glycine 0 CA--C 1.522 0.483 0 CA-C-N 121.432 1.924 . . . . 0.0 111.11 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.432 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 57.09 -110.4 0.54 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -66.44 -145.69 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.717 0.407 . . . . 0.0 110.655 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.634 ' HA ' ' O ' ' A' ' 73' ' ' ALA . . . 67.18 65.21 0.43 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -167.45 -38.67 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.229 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -101.66 170.49 8.14 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 123.979 0.799 . . . . 0.0 109.841 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -155.25 -167.38 0.17 Allowed Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.512 . . -175.07 171.31 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 121.722 1.615 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.08 127.03 7.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 69.3 142.5 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 70' ' ' ALA . . . -50.38 -90.44 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.665 0.386 . . . . 0.0 111.631 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 57.31 -82.25 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -81.13 -152.06 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 176.85 31.17 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 121.343 -0.143 . . . . 0.0 110.708 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.88 -33.35 71.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.634 ' O ' ' HA ' ' A' ' 61' ' ' SER . . . -46.31 -65.12 0.6 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.424 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . 153.68 -155.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.241 0 O-C-N 124.412 1.07 . . . . 0.0 110.428 -176.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -139.12 -130.91 0.12 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.33 -61.29 2.33 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -168.03 162.01 12.99 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -34.21 2.89 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.095 0.872 . . . . 0.0 111.288 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.01 -55.39 14.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.628 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.25 -48.14 74.39 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.68 -48.2 75.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.3 -39.53 65.11 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.46 -66.67 0.35 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.163 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.0 -35.72 3.06 Favored 'General case' 0 C--N 1.341 0.202 0 O-C-N 124.1 0.875 . . . . 0.0 110.739 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.14 -68.93 1.37 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.72 -46.03 40.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.164 0.567 . . . . 0.0 111.019 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.59 49.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.193 0.308 . . . . 0.0 111.009 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.74 -38.34 69.66 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.25 99.21 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 123.731 0.644 . . . . 0.0 110.412 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.28 -43.01 53.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.593 0.711 . . . . 0.0 109.307 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.58 -36.09 63.02 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.359 -1.292 . . . . 0.0 109.68 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.13 -65.09 3.61 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 114.0 -1.455 . . . . 0.0 109.958 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.5 92.84 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -57.41 -39.08 75.4 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 117.217 0.508 . . . . 0.0 109.961 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.98 -41.87 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.51 -48.85 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.14 79.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -59.81 -37.25 78.62 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -53.17 -50.45 64.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.779 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.39 162.38 1.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 57.56 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 119.735 -0.174 . . . . 0.0 110.729 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.779 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -100.53 -100.2 2.36 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . -153.1 127.88 9.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.108 0.48 . . . . 0.0 111.418 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.04 -15.66 58.69 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -29.05 35.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.97 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.25 -36.19 66.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.576 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -80.05 -26.54 39.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.59 -48.97 6.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.22 -35.2 66.26 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.97 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.76 -54.1 40.61 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.715 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.73 -27.02 67.61 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.75 0.42 . . . . 0.0 111.47 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.97 -31.58 61.49 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.55 -41.67 90.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.491 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.64 -27.8 61.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.09 -53.55 36.16 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.89 -20.08 74.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.11 -59.8 2.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.07 -45.81 93.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.76 -44.84 82.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.39 74.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.77 -52.36 65.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.381 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.705 ' O ' ' O ' ' A' ' 126' ' ' ARG . . . -65.42 -61.45 2.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -48.86 -26.85 2.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.679 0.612 . . . . 0.0 110.603 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -71.16 -53.24 15.19 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -77.57 -53.68 7.31 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.705 ' O ' ' O ' ' A' ' 122' ' ' HIS . . . -160.42 177.55 10.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -171.37 79.5 0.07 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -159.46 -51.57 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.748 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -162.86 55.04 0.2 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -76.62 64.41 2.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -159.28 -33.98 0.06 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.31 -51.08 26.35 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.77 -36.43 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 68' ' ' THR . . . -73.94 -50.48 19.85 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.48 -42.2 64.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.5 0.5 . . . . 0.0 110.277 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.15 94.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.1 -28.0 67.48 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.0 -37.63 88.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -45.16 66.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.16 -24.05 57.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.65 -38.58 33.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -23.46 62.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.7 -68.63 0.46 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.38 -30.88 65.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.35 69.13 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.42 -40.35 97.68 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.438 ' CB ' ' CB ' ' A' ' 42' ' ' LYS . . . -57.88 -51.86 67.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.82 -49.13 40.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.202 0.601 . . . . 0.0 111.893 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -66.71 -62.97 1.17 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.619 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -32.84 36.13 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 123.551 0.532 . . . . 0.0 109.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.419 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -74.65 -42.38 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.751 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -64.76 -44.31 90.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.13 -48.07 21.31 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.15 -51.14 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.98 63.78 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -67.84 -37.25 81.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.61 -100.59 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.84 -123.46 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -87.25 -160.88 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.72 0.408 . . . . 0.0 110.062 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 51.44 -69.03 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.499 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -46.34 -61.51 1.76 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -53.86 -65.39 0.58 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.2 -70.22 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.7 -61.77 1.93 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.521 0.329 . . . . 0.0 111.733 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.07 -50.49 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 122.878 0.471 . . . . 0.0 112.173 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.97 -42.67 99.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.914 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -48.77 -56.95 7.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -56.46 21.97 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' CB ' ' CB ' ' A' ' 20' ' ' SER . . . -61.89 -52.44 64.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.378 -0.201 . . . . 0.0 111.371 -177.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -49.56 -57.14 7.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.33 0.652 . . . . 0.0 109.843 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.93 -45.0 10.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.411 0.444 . . . . 0.0 110.281 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' LEU . . . -57.88 -43.35 85.98 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -52.98 -35.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -66.61 107.05 1.97 Allowed 'General case' 0 CA--C 1.512 -0.487 1 N-CA-C 93.643 -6.429 . . . . 0.0 93.643 170.296 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.84 148.48 28.8 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 119.39 0.995 . . . . 0.0 113.681 -165.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.46 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -80.31 9.07 6.23 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.51 173.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 134.23 56.94 0.0 OUTLIER 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.415 1.886 . . . . 0.0 112.286 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.762 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -62.74 -44.85 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 120.248 1.385 . . . . 0.0 109.529 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.95 62.24 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.543 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.762 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.509 . . -175.77 23.52 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 121.63 1.553 . . . . 0.0 111.111 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -81.55 -24.77 36.37 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -135.07 -178.99 0.96 Allowed Pre-proline 0 C--N 1.341 0.199 0 O-C-N 123.856 0.723 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -51.81 -45.68 36.81 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.904 2.402 . . . . 0.0 110.292 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -72.99 -127.0 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.47 93.04 0.32 Allowed Glycine 0 C--N 1.339 0.75 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 75.19 24.64 1.42 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 122.855 0.462 . . . . 0.0 109.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.717 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 170.65 -176.57 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.426 ' CB ' ' CB ' ' A' ' 75' ' ' TRP . . . -85.14 -164.04 0.93 Allowed 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 123.482 0.489 . . . . 0.0 110.19 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -158.44 68.83 0.48 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 71.26 2.91 4.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.973 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -56.32 -52.73 70.75 Favored Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.508 . . 162.61 -45.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 121.934 1.756 . . . . 0.0 109.72 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.91 -113.05 0.3 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 174.01 -62.74 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.425 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . 171.47 -56.98 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -157.97 33.6 0.25 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB1' ' CB ' ' A' ' 74' ' ' ILE . . . -61.39 -21.49 64.11 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . 72.17 125.95 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.251 0.344 . . . . 0.0 110.079 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.758 ' HB1' ' CA ' ' A' ' 126' ' ' ARG . . . 70.07 21.27 6.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.84 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.634 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . 55.15 55.91 7.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.584 ' CB ' ' HB1' ' A' ' 70' ' ' ALA . . . -64.51 29.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.205 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.634 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -93.17 -11.84 31.78 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.339 0.656 . . . . 0.0 110.109 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.88 -164.59 1.16 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 25.86 50.34 0.02 OUTLIER 'General case' 0 C--N 1.34 0.191 0 O-C-N 125.143 1.527 . . . . 0.0 114.557 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.89 -42.57 17.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 123.579 0.55 . . . . 0.0 111.723 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.73 -60.95 2.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.588 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.65 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -50.83 -42.65 58.65 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 123.692 0.62 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.12 -47.39 78.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.65 -37.03 74.07 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.38 -62.45 1.65 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.605 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -52.34 -39.68 60.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.28 -63.03 4.29 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 107.136 -2.386 . . . . 0.0 107.136 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -51.3 -40.93 60.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.489 -0.856 . . . . 0.0 109.497 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -53.58 -53.54 50.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 123.311 0.382 . . . . 0.0 111.184 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -55.35 -40.57 71.41 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.89 -41.13 86.41 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.99 -39.12 54.9 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.774 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.56 -35.38 67.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.614 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.01 -69.59 1.12 Allowed Glycine 0 CA--C 1.526 0.761 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.871 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.83 91.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.0 67.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.849 0.824 . . . . 0.0 110.396 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -62.73 -37.03 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -54.18 -52.03 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.71 74.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.333 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.99 -40.82 67.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.914 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -53.85 -53.51 51.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -72.71 -45.12 60.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . . . -57.75 -35.77 71.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.113 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 75.76 -162.97 53.32 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 72.88 125.13 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.553 0.341 . . . . 0.0 110.631 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.16 -13.2 83.18 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.03 -55.42 4.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.21 65.92 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -66.6 -66.86 0.5 Allowed 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.26 -37.82 25.11 Favored Glycine 0 C--N 1.337 0.636 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.42 94.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 107' ' ' PHE . . . -60.49 -52.03 66.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.657 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.419 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -61.93 -21.11 64.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.18 -37.02 34.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.07 -41.75 75.59 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.774 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.64 -28.42 61.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.07 -43.56 71.67 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.38 -25.33 59.29 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.75 -43.94 91.71 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.71 -47.44 39.47 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.601 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.88 -52.22 65.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.33 77.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.76 -45.84 70.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.244 0.34 . . . . 0.0 110.089 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.26 -70.92 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -52.68 -25.11 9.98 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 123.248 0.343 . . . . 0.0 110.209 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -61.96 -42.58 99.28 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.489 ' C ' ' H ' ' A' ' 127' ' ' GLU . . . -53.93 -47.73 70.95 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.758 ' CA ' ' HB1' ' A' ' 72' ' ' ALA . . . -75.94 33.76 0.12 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 125' ' ' TYR . . . -61.75 176.11 0.56 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -75.54 -60.77 2.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 116.96 -1.495 . . . . 0.0 109.768 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' CB ' ' CB ' ' A' ' 5' ' ' GLU 2.441 . . . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.32 -58.27 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -68.82 -59.56 3.0 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -173.72 80.1 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' CB ' ' CB ' ' A' ' 1' ' ' ALA . . . -68.45 -54.55 16.25 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.28 -36.03 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.56 -50.67 34.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.75 -47.5 59.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.562 0.539 . . . . 0.0 111.163 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.61 -42.53 97.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.07 -31.67 69.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.16 -37.91 89.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.66 -44.84 92.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.117 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.89 -28.8 67.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -70.9 -40.06 72.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.07 -38.84 92.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -56.98 -64.71 0.79 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.17 -33.32 65.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.0 -74.48 0.33 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.79 -42.81 2.21 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.504 1.049 . . . . 0.0 114.421 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.86 -51.62 68.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.928 1.364 . . . . 0.0 108.01 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.57 -48.34 77.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.181 0.592 . . . . 0.0 112.521 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.54 -58.22 8.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.835 0.35 . . . . 0.0 110.299 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -20.72 59.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.979 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.12 -42.79 22.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.232 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.95 -31.9 56.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.546 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.23 4.67 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.929 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -56.55 -47.98 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.57 -37.08 85.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.019 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.15 -30.77 58.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.791 0.269 . . . . 0.0 110.508 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -121.72 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.93 -155.28 0.27 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -146.33 -171.65 3.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.976 0.797 . . . . 0.0 110.553 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 70.74 -85.31 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.672 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.23 -53.86 49.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.929 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -54.9 -49.74 70.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 122.301 0.24 . . . . 0.0 110.806 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.38 63.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.373 0.421 . . . . 0.0 109.935 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.89 -48.88 66.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.225 0.328 . . . . 0.0 110.437 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -38.24 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.534 0.206 . . . . 0.0 111.044 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.89 -42.13 97.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.04 -45.5 64.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.009 0.818 . . . . 0.0 109.563 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.02 38.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.34 -33.59 72.63 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.6 -60.36 3.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.88 -40.9 2.26 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.774 1.296 . . . . 0.0 110.078 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -62.35 -50.34 71.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.94 -44.7 95.06 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -79.06 70.74 5.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 103.369 -2.826 . . . . 0.0 103.369 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -84.04 131.83 34.78 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 -175.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -68.8 61.81 0.1 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 121.321 1.873 . . . . 0.0 106.991 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -167.09 -20.88 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -56.72 120.79 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 119.582 1.083 . . . . 0.0 109.934 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -178.14 39.31 0.02 OUTLIER Pre-proline 0 N--CA 1.447 -0.588 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -153.97 -105.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.053 2.502 . . . . 0.0 108.956 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 55' ' ' PHE . . . 68.36 70.54 0.31 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 54' ' ' LEU . . . 105.28 -177.44 0.0 OUTLIER Pre-proline 0 C--N 1.342 0.264 0 C-N-CA 125.651 1.58 . . . . 0.0 111.22 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.522 . . 74.66 135.5 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.076 0 N-CA-C 106.581 -2.123 . . . . 0.0 106.581 -177.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 52.4 31.61 9.88 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 117.902 0.319 . . . . 0.0 110.63 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.66 68.22 0.04 OUTLIER Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.306 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 68.87 77.95 0.22 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.996 0.398 . . . . 0.0 111.248 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 62' ' ' THR . . . -160.02 178.0 10.16 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -67.47 60.07 0.06 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' SER . . . -176.92 -66.67 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -54.31 -24.69 20.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 178.39 176.14 0.32 Allowed Pre-proline 0 N--CA 1.449 -0.511 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -167.93 43.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.662 1.575 . . . . 0.0 110.096 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.88 58.63 0.33 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -160.7 -155.45 0.42 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -147.43 154.8 41.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 123.634 0.584 . . . . 0.0 110.011 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -178.96 -50.08 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.93 -52.46 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -178.61 105.36 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.94 -55.26 36.83 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.77 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.59 124.17 49.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -102.85 -15.67 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.748 0.819 . . . . 0.0 109.97 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.432 ' O ' ' CB ' ' A' ' 76' ' ' ALA . . . 75.07 94.06 0.07 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 122.946 0.498 . . . . 0.0 110.128 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.873 ' HB1' ' CB ' ' A' ' 80' ' ' ASP . . . 137.52 108.34 0.0 OUTLIER 'General case' 0 C--N 1.342 0.277 0 O-C-N 125.579 1.799 . . . . 0.0 106.966 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -57.62 -179.26 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.491 0.316 . . . . 0.0 110.992 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.37 -45.47 17.77 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.973 0.509 . . . . 0.0 111.877 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.96 -56.36 17.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.873 ' CB ' ' HB1' ' A' ' 76' ' ' ALA . . . -53.27 -31.34 43.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.63 -57.87 11.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.37 -6.4 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -80.57 -74.27 0.32 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.23 -37.39 10.34 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 123.864 0.728 . . . . 0.0 110.462 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.9 -63.68 4.79 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.849 -2.9 . . . . 0.0 105.849 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.37 -47.68 18.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 124.606 0.827 . . . . 0.0 110.89 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.48 -55.1 28.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.379 0.272 . . . . 0.0 111.505 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.6 -44.65 73.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.55 -42.2 78.12 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.62 -44.13 57.11 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.551 0.691 . . . . 0.0 109.165 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -71.65 -36.89 70.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.507 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.34 -67.14 2.37 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.531 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.92 98.21 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.38 -38.61 66.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.215 0.508 . . . . 0.0 110.177 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.27 -41.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.24 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.06 -57.39 13.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.15 63.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.48 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.99 -52.2 66.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.32 -41.47 62.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.95 -104.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.25 36.7 0.02 OUTLIER Glycine 0 C--N 1.336 0.572 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -101.12 90.86 4.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.668 0.787 . . . . 0.0 110.006 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.1 -25.59 57.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.85 36.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.54 -34.91 65.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.01 -28.17 39.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.87 -46.65 10.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.87 70.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.57 -53.14 56.42 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.46 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.3 -28.99 68.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.354 0.262 . . . . 0.0 111.037 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.01 -32.95 65.46 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.84 -45.24 95.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.638 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.65 -28.02 67.36 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.12 52.61 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 108.859 -1.697 . . . . 0.0 108.859 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.6 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -55.48 -65.89 3.23 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -47.44 -64.76 0.7 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.879 0.339 . . . . 0.0 111.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -57.45 -70.57 0.12 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.29 -67.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -48.27 -39.85 22.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 125' ' ' TYR . . . -58.62 -50.47 73.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -63.84 -45.91 87.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -45.95 -57.05 4.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.353 0.661 . . . . 0.0 112.183 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -80.03 -52.69 7.51 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.403 ' CB ' ' O ' ' A' ' 121' ' ' CYS . . . -69.16 58.06 0.1 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . 175.69 -175.86 0.1 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.91 60.94 0.19 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.95 179.56 7.49 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.764 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -59.1 -60.59 3.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 70.82 -174.96 0.18 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -174.92 81.86 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.14 -51.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.94 -40.83 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.511 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -50.36 35.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.61 -47.57 66.87 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 123.446 0.466 . . . . 0.0 110.714 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.34 -39.16 92.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.2 -28.42 67.96 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -67.05 -39.48 86.92 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.28 -45.36 91.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.76 -28.06 67.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.63 -31.31 61.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.9 -36.8 75.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.05 -65.11 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.39 -34.99 67.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.97 -73.72 0.41 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.81 -41.79 1.95 Allowed Glycine 0 C--N 1.338 0.692 0 C-N-CA 124.332 0.968 . . . . 0.0 114.476 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.12 -55.81 29.36 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 118.959 1.38 . . . . 0.0 108.384 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.28 -48.06 46.32 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.601 0.761 . . . . 0.0 113.007 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.21 -57.48 6.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.71 -29.25 67.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.2 -28.03 38.73 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.699 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.19 -61.25 1.96 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.064 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -38.96 96.73 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.648 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -65.22 -36.24 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -71.75 -40.23 69.49 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.55 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -79.99 -26.45 39.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.19 -117.7 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -92.48 -156.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.68 77.61 0.98 Allowed 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.533 0.521 . . . . 0.0 110.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.72 -91.97 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.65 -53.56 55.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.648 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -55.41 -48.98 73.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.616 0.189 . . . . 0.0 110.816 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.36 56.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.452 0.47 . . . . 0.0 110.052 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.72 -49.61 62.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 123.326 0.391 . . . . 0.0 110.64 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.75 -35.98 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.546 0.212 . . . . 0.0 111.071 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.47 -42.85 95.67 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.691 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -52.18 -45.11 64.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.074 0.859 . . . . 0.0 109.185 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.6 -54.26 43.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.53 -32.96 73.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.01 -60.61 3.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.66 -44.21 3.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 124.643 1.215 . . . . 0.0 110.144 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.93 -46.14 74.91 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 177.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.3 -37.03 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.36 5.91 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 102.505 -3.146 . . . . 0.0 102.505 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.88 -136.45 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -172.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.92 -148.82 0.08 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 103.049 -2.945 . . . . 0.0 103.049 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -84.45 111.02 19.09 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -55.08 -35.35 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' C ' ' H ' ' A' ' 54' ' ' LEU . . . -51.23 -31.5 5.69 Favored Pre-proline 0 N--CA 1.451 -0.389 0 O-C-N 123.721 0.638 . . . . 0.0 110.002 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.505 . . -63.87 2.66 0.95 Allowed 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.225 1.95 . . . . 0.0 111.056 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 52' ' ' ALA . . . -73.13 -26.97 61.41 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -132.61 175.2 3.89 Favored Pre-proline 0 C--N 1.34 0.157 0 O-C-N 124.064 0.852 . . . . 0.0 109.372 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.507 . . -53.44 -40.39 78.62 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.446 2.098 . . . . 0.0 109.23 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.27 27.17 0.06 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.76 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 102.45 25.26 7.85 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 53.95 -62.59 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.76 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 73.74 73.6 0.12 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.557 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -73.35 -177.51 2.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -166.93 27.38 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 54.52 54.8 8.81 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.427 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -77.55 -97.22 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.481 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -81.91 -82.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.474 2.116 . . . . 0.0 109.602 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.14 173.98 33.42 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 173.86 171.7 0.18 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -127.87 126.47 41.64 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 124.16 0.913 . . . . 0.0 109.643 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.744 ' CB ' ' HB2' ' A' ' 72' ' ' ALA . . . 174.84 48.7 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 55.13 64.54 1.76 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . . . 55.74 47.48 20.36 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.744 ' HB2' ' CB ' ' A' ' 69' ' ' GLU . . . -57.95 -35.25 70.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.361 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -80.15 -11.84 59.71 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.448 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 6.56 51.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.343 0.3 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.522 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -58.34 155.66 11.39 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 164.82 -51.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 157.66 101.85 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.8 -39.61 5.43 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 123.779 0.674 . . . . 0.0 111.704 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.666 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.68 -45.58 89.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.46 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.46 -52.27 65.33 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.46 -38.36 34.59 Favored Glycine 0 C--N 1.339 0.703 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -64.72 0.74 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -41.31 -36.1 0.75 Allowed 'General case' 0 C--N 1.34 0.191 0 O-C-N 124.49 1.119 . . . . 0.0 111.338 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.88 -69.38 1.28 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.12 -49.43 16.67 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 124.749 0.911 . . . . 0.0 110.995 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.97 -54.81 29.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.528 0.331 . . . . 0.0 111.417 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.38 -44.6 72.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.05 -42.45 85.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.283 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 94' ' ' ALA . . . -51.42 -49.1 62.31 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.309 0.576 . . . . 0.0 110.309 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -72.08 -34.52 68.75 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.014 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.93 -67.55 2.15 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.04 91.4 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.839 -0.505 . . . . 0.0 111.839 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -67.24 -34.7 78.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 117.649 0.725 . . . . 0.0 110.219 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.574 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -67.27 -43.36 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -66.86 -37.84 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -53.77 42.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -64.23 -31.42 72.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.691 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.12 1.78 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.15 -38.96 42.47 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -77.8 -146.05 2.6 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.06 -178.26 4.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.986 0.914 . . . . 0.0 109.104 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.52 -19.16 74.36 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.08 35.63 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -74.87 -34.48 62.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.836 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -79.14 -26.62 42.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.64 -44.75 11.96 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.09 63.99 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.34 77.32 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -59.74 -32.83 70.92 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 122.772 0.429 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.31 -27.27 62.33 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.91 -43.69 98.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -71.68 -25.45 62.11 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.909 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.53 -54.9 17.05 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.577 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -75.34 -21.78 77.07 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.3 -60.43 2.99 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.65 -47.54 80.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.31 -40.52 78.05 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -57.92 -45.47 86.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.57 -45.94 77.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 125' ' ' TYR . . . -66.62 -63.34 1.09 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -50.71 -24.55 3.47 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.4 0.438 . . . . 0.0 110.725 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -78.2 -65.9 0.92 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.743 ' O ' ' N ' ' A' ' 127' ' ' GLU . . . -77.99 -177.85 5.22 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.425 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . 55.27 -63.95 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.743 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -72.69 60.19 0.49 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -63.53 179.16 0.49 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 116.982 -1.485 . . . . 0.0 109.759 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 64.48 178.46 0.18 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -71.76 179.81 2.97 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 70.51 77.75 0.19 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.14 -48.91 49.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.08 -40.93 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.257 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -51.43 26.2 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.47 -45.24 56.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.647 0.592 . . . . 0.0 110.87 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.79 -44.78 96.38 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -30.59 68.31 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -38.17 89.1 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.3 -43.33 77.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.189 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.9 -40.57 46.88 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.99 -30.62 70.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.79 -67.43 0.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.08 -30.55 66.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.74 -24.82 76.63 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -40.64 25.56 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.684 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.06 -49.67 76.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.31 -45.81 83.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.475 0.71 . . . . 0.0 112.675 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.98 -64.28 0.89 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.775 0.321 . . . . 0.0 110.618 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -18.6 11.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.684 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.22 -48.1 13.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.85 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.87 -28.81 65.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.405 0.282 . . . . 0.0 111.41 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.17 -49.52 5.89 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.98 -47.11 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.06 96.78 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.56 -24.59 49.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.13 -138.3 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.03 101.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -177.04 -92.13 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 166.05 -37.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.39 -48.1 81.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.301 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.96 -52.32 66.0 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 122.051 0.14 . . . . 0.0 110.735 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -51.34 39.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.427 0.455 . . . . 0.0 110.666 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.626 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.6 -47.93 66.6 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 123.314 0.384 . . . . 0.0 109.975 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.51 -39.36 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.13 -42.31 99.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.04 -45.85 61.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.05 0.844 . . . . 0.0 109.598 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -49.71 68.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.59 -35.52 76.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.49 -56.14 23.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.87 -47.77 4.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.382 1.051 . . . . 0.0 110.781 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -53.38 -46.16 69.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.817 0.28 . . . . 0.0 110.857 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -64.61 -43.36 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.98 66.57 2.84 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 101.757 -3.423 . . . . 0.0 101.757 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.63 -139.16 0.06 Allowed 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -173.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.95 -147.83 0.07 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 102.835 -3.024 . . . . 0.0 102.835 170.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -81.17 103.17 10.78 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 174.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -69.24 -40.2 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 64.75 -36.24 0.0 OUTLIER Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.683 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . 70.79 49.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 123.14 2.56 . . . . 0.0 112.226 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 142.18 -172.8 0.0 OUTLIER 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.528 1.531 . . . . 0.0 109.502 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -152.0 35.09 0.08 OUTLIER Pre-proline 0 N--CA 1.452 -0.328 0 O-C-N 123.804 0.69 . . . . 0.0 109.846 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.507 . . 51.73 -91.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.712 2.275 . . . . 0.0 110.803 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 83.51 0.39 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.051 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.15 59.61 0.06 OUTLIER Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 67.55 46.68 1.32 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -169.09 83.42 0.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 167.76 -81.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -83.83 -154.9 0.17 Allowed 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -159.95 83.02 0.72 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -57.24 -44.28 99.6 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -155.21 -93.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.039 2.492 . . . . 0.0 107.929 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -150.38 57.08 0.46 Allowed Glycine 0 C--N 1.337 0.612 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -62.87 -175.6 0.1 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 68.5 165.58 0.25 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -56.8 -41.44 77.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.76 ' O ' ' O ' ' A' ' 125' ' ' TYR . . . 171.39 55.82 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . -162.78 44.02 0.13 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.52 -44.93 69.54 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.14 124.13 49.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -100.51 -15.82 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 123.815 0.846 . . . . 0.0 109.7 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.535 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . 74.15 98.27 0.07 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.917 0.487 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 163.23 -137.77 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 124.242 0.964 . . . . 0.0 108.847 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -166.58 163.15 16.93 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.23 -42.05 6.27 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.239 0.472 . . . . 0.0 112.098 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.4 -62.29 1.46 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.09 -45.3 64.78 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.1 -50.19 71.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.99 -38.87 56.18 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.08 -66.15 0.45 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.96 -35.8 3.06 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 123.921 0.763 . . . . 0.0 111.224 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.67 -74.51 0.31 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.34 -46.26 12.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 124.249 0.617 . . . . 0.0 111.222 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.67 71.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.66 -47.79 70.04 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -62.14 -35.05 77.58 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.986 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.85 -49.73 65.2 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.7 -37.22 62.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.366 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.2 -64.38 4.06 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.35 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.04 67.44 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 123.207 0.432 . . . . 0.0 112.21 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.31 -32.24 72.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 117.556 0.678 . . . . 0.0 109.935 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.9 -46.02 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -72.25 -38.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.82 -54.97 41.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.662 ' HB1' ' CB ' ' A' ' 106' ' ' ALA . . . -66.84 -56.91 8.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.615 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -51.28 -49.86 60.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.509 0.324 . . . . 0.0 111.736 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -65.08 -51.59 60.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.47 12.95 0.1 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.28 102.68 0.67 Allowed Glycine 0 C--N 1.337 0.634 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.61 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . 171.41 67.73 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.43 58.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 -32.68 35.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.662 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -71.14 -33.13 69.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.615 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -65.45 -66.32 0.56 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.75 62.63 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.029 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.1 -59.54 2.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.938 0.369 . . . . 0.0 111.585 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.527 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -59.55 -48.52 81.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 109.875 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.41 -22.6 66.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.0 -34.64 64.26 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.52 -43.9 96.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.534 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -67.35 -28.03 67.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 -55.34 16.52 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.12 -20.1 76.19 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.23 -60.34 2.28 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.0 -46.82 82.83 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.22 -59.47 4.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.89 -61.24 1.82 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 123.573 0.546 . . . . 0.0 111.831 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.0 -61.07 2.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -52.9 -56.96 12.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -47.88 -49.69 28.92 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.17 0.588 . . . . 0.0 111.909 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -58.17 -40.61 81.87 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.76 ' O ' ' O ' ' A' ' 70' ' ' ALA . . . -61.85 57.45 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.626 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . -176.91 -52.07 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.2 176.91 10.14 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.35 -58.96 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.022 -1.466 . . . . 0.0 109.79 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 55.92 58.82 4.13 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -161.67 -160.9 0.74 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -158.58 57.74 0.44 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.79 -32.03 46.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -65.73 -52.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.797 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.8 -50.73 40.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.77 -49.16 58.87 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 123.647 0.592 . . . . 0.0 111.026 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.66 -39.59 88.93 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.3 -32.1 70.9 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.37 -39.33 94.24 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.16 -41.19 99.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.833 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -63.31 -27.44 69.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.66 -39.46 67.1 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.17 -38.16 89.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.27 -64.22 1.02 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.4 -31.45 63.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.67 -75.2 0.29 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.53 -42.53 1.95 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 124.26 0.933 . . . . 0.0 114.67 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -61.69 -54.72 38.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.656 1.728 . . . . 0.0 108.823 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.5 -52.64 21.45 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.594 0.758 . . . . 0.0 113.009 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.91 -52.75 58.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.39 -26.25 66.36 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.048 0.451 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.435 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.16 -35.32 36.7 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.6 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.57 -59.04 3.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.238 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.78 97.12 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.139 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.46 -33.86 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 118.105 0.952 . . . . 0.0 108.957 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.97 64.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.56 -15.99 55.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.572 0.349 . . . . 0.0 110.202 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -140.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.421 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 178.17 60.45 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -143.33 -99.4 0.12 Allowed 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 123.919 0.762 . . . . 0.0 109.06 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 170.73 -37.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.93 -55.13 29.79 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.565 0.346 . . . . 0.0 111.761 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.73 65.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.303 0.241 . . . . 0.0 111.289 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.39 -55.51 12.75 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.447 0.467 . . . . 0.0 110.889 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.08 -52.34 44.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.246 0.341 . . . . 0.0 111.174 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -62.05 -37.09 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 120.58 0.228 . . . . 0.0 111.085 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.83 -44.35 93.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -50.57 -44.44 56.75 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.037 0.835 . . . . 0.0 109.453 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -54.42 -51.3 65.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.96 -32.44 72.87 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.15 -57.56 11.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.98 -42.37 1.36 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 125.104 1.502 . . . . 0.0 109.295 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.88 -45.98 82.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.738 -0.602 . . . . 0.0 111.079 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.3 -44.48 83.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.57 84.65 3.25 Favored 'General case' 0 CA--C 1.514 -0.406 1 N-CA-C 98.263 -4.717 . . . . 0.0 98.263 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.37 178.78 8.17 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -81.63 15.62 2.06 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 111.788 -2.46 . . . . 0.0 109.855 177.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 122.29 71.74 0.0 OUTLIER 'General case' 0 C--N 1.353 0.738 0 C-N-CA 127.146 2.178 . . . . 0.0 108.073 -177.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -81.89 -47.51 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 73.87 -43.36 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.317 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -178.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 54' ' ' LEU 2.509 . . 85.02 42.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.883 2.389 . . . . 0.0 111.998 178.251 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 140.92 -178.01 0.0 OUTLIER 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.837 1.655 . . . . 0.0 108.573 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -179.36 165.04 0.95 Allowed Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 58' ' ' GLY . . . 56.82 74.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 121.584 1.523 . . . . 0.0 108.647 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.89 6.29 0.09 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.795 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 56' ' ' PRO . . . 93.16 133.82 6.7 Favored Glycine 0 C--N 1.338 0.672 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -67.05 -110.88 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.927 0.363 . . . . 0.0 111.713 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 43.75 -105.65 0.08 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.533 0.733 . . . . 0.0 112.218 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 69.69 140.68 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.77 -101.26 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 64.07 76.75 0.34 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 69.48 -5.27 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.482 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.51 . . -67.27 -173.95 0.48 Allowed 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 121.947 1.765 . . . . 0.0 109.618 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.69 -32.92 0.63 Allowed Glycine 0 C--N 1.339 0.722 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -64.01 -178.28 0.32 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.454 ' C ' ' H ' ' A' ' 70' ' ' ALA . . . 59.25 171.32 0.07 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.636 0.374 . . . . 0.0 111.611 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -81.09 25.57 0.47 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 68' ' ' THR . . . 55.63 -90.52 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 48.51 26.24 1.13 Allowed 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.574 0.546 . . . . 0.0 111.758 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 74' ' ' ILE . . . 65.83 48.11 1.93 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 178.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 33.52 19.52 0.0 OUTLIER 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.498 1.119 . . . . 0.0 113.995 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.6 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . 51.52 85.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.527 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -130.75 139.61 50.26 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 164.62 -51.3 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -177.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 151.39 109.89 0.0 OUTLIER 'General case' 0 C--N 1.341 0.225 0 O-C-N 125.009 1.443 . . . . 0.0 108.618 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.55 -37.32 12.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.56 0.344 . . . . 0.0 111.815 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -64.91 -44.65 88.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.622 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -61.8 -45.12 95.21 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.57 -48.23 77.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -49.77 -41.14 34.95 Favored Glycine 0 C--N 1.339 0.701 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.96 -65.65 0.53 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.188 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.31 -36.07 0.31 Allowed 'General case' 0 C--N 1.342 0.271 0 O-C-N 125.084 1.49 . . . . 0.0 110.383 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.74 -72.19 0.64 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 106.259 -2.737 . . . . 0.0 106.259 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.6 -54.79 3.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 112.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.62 -53.54 45.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -38.86 74.31 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.86 -41.74 92.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.361 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.38 -57.25 13.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.282 0.233 . . . . 0.0 110.891 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 110' ' ' ALA . . . -68.29 -32.18 72.14 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.72 -65.96 3.13 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.94 -39.42 96.48 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -25.3 62.07 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 117.775 0.787 . . . . 0.0 110.564 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.404 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -73.85 -39.53 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -68.47 -33.27 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . -69.26 -46.01 68.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.824 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.788 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -77.49 -29.66 52.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.764 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -66.42 -49.2 67.54 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.75 -59.52 2.74 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 97' ' ' ALA . . . -75.02 158.13 33.73 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.603 0.239 . . . . 0.0 110.431 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -52.09 90.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.788 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 176.42 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.37 -23.04 57.42 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.92 -69.53 0.3 Allowed 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -62.96 -10.89 15.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . . . -77.99 -34.31 50.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.55 42.43 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 108.376 -1.889 . . . . 0.0 108.376 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.7 62.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.639 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.02 -50.33 62.44 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -71.01 -24.49 62.38 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -66.82 -45.29 78.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.33 -39.61 94.25 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.594 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -59.78 -40.66 89.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.22 -51.77 56.09 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -54.44 -69.42 1.25 Allowed Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.98 -67.45 0.28 Allowed 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.11 -68.08 0.36 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -50.49 -66.74 0.34 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.944 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -47.3 -52.74 15.43 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 123.685 0.616 . . . . 0.0 111.323 -178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 124' ' ' ASP . . . -37.76 -63.05 0.49 Allowed 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 114.515 -2.659 . . . . 0.0 105.163 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -60.77 -70.5 0.18 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 127.73 3.144 . . . . 0.0 111.903 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . -71.77 77.35 0.86 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 102.88 -3.007 . . . . 0.0 102.88 173.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.516 ' HA ' ' O ' ' A' ' 121' ' ' CYS . . . -30.08 111.0 0.07 Allowed 'General case' 0 CA--C 1.483 -1.623 1 C-N-CA 133.087 4.555 . . . . 0.0 121.394 -156.478 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -80.12 -43.72 21.2 Favored 'General case' 0 N--CA 1.448 -0.528 1 CA-C-N 107.05 -4.613 . . . . 0.0 109.268 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -54.1 -31.29 51.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.308 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.19 76.07 0.47 Allowed 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.008 0.193 . . . . 0.0 110.639 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -79.29 -177.36 5.67 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.984 -1.484 . . . . 0.0 109.798 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -178.95 -58.4 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -72.06 -170.11 0.56 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 71.2 76.14 0.18 Allowed 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.41 -45.9 61.57 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.12 -39.16 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.88 -48.93 56.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.56 -44.45 69.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 123.476 0.485 . . . . 0.0 110.023 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.88 99.45 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.41 -29.26 68.86 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.57 -38.73 92.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.73 73.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -57.4 -27.37 62.3 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.45 -39.61 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.73 -27.85 67.95 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.35 -68.45 0.39 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.38 -31.74 67.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.75 71.84 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.36 -40.3 33.76 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.26 -51.36 69.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.56 -38.08 71.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.893 0.477 . . . . 0.0 110.721 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.97 -66.38 0.55 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.352 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -54.7 -22.71 14.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.927 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.683 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.21 -43.74 20.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.92 -32.82 65.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.81 4.73 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 108.546 -1.822 . . . . 0.0 108.546 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -59.44 -45.75 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -58.72 -41.07 85.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.177 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -71.13 -30.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -136.48 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -173.58 78.74 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.75 -160.23 0.95 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.72 -26.69 0.73 Allowed 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.928 0.767 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -61.6 -45.85 92.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.44 81.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.34 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.76 58.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.266 0.354 . . . . 0.0 110.972 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -55.24 -47.63 75.1 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.98 -42.66 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.57 -42.04 98.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -50.99 -53.48 32.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.736 0.648 . . . . 0.0 110.523 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.32 -44.71 65.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.37 -48.25 82.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.58 -63.01 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.261 0.625 . . . . 0.0 112.005 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.847 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -49.43 -48.25 47.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.43 -52.16 42.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.44 -69.78 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.5 -40.93 98.36 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -175.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.86 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -70.22 -157.29 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.68 60.01 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 125.092 1.495 . . . . 0.0 111.898 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.86 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -155.12 -32.49 0.1 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -50.26 -58.52 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 123.083 0.553 . . . . 0.0 111.452 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.64 163.78 1.83 Allowed Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . 72.81 8.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.368 2.045 . . . . 0.0 111.447 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -56.32 -31.52 63.78 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.446 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -157.51 -153.14 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.345 0 O-C-N 123.136 0.273 . . . . 0.0 111.21 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.496 . . -67.68 -129.97 0.01 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.754 2.303 . . . . 0.0 112.167 -178.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.87 7.56 39.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.482 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.82 -55.82 0.02 OUTLIER Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.619 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.446 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 67.73 59.06 0.48 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 172.98 -73.83 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 71.72 -144.91 0.06 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.657 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -65.12 -157.76 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.452 0.301 . . . . 0.0 110.866 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -74.24 -82.1 0.06 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.289 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 68.34 61.61 0.68 Allowed Pre-proline 0 N--CA 1.449 -0.489 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.505 . . -58.71 178.94 0.21 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.394 2.062 . . . . 0.0 111.187 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.45 52.24 32.04 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 175.5 168.07 0.35 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 60.36 177.22 0.09 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.757 0.313 . . . . 0.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -58.52 -39.32 79.79 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.46 -77.87 0.06 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 169.89 -47.08 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.0 163.09 0.1 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.144 0.497 . . . . 0.0 111.606 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 125' ' ' TYR . . . -64.77 14.72 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -55.98 94.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.507 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -168.52 -156.0 0.16 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 75' ' ' TRP . . . 73.74 -96.99 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 118.483 0.583 . . . . 0.0 109.441 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.501 ' C ' ' N ' ' A' ' 79' ' ' ASP . . . -145.85 117.5 8.09 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 123.885 0.741 . . . . 0.0 112.307 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.8 -13.77 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.184 0.927 . . . . 0.0 108.759 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 77' ' ' ASN . . . -74.19 -43.13 58.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -65.04 -49.89 68.34 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.96 -48.7 77.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.19 -39.41 42.32 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.55 -66.93 0.31 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.691 -0.671 . . . . 0.0 109.26 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.81 -34.92 0.29 Allowed 'General case' 0 C--N 1.343 0.311 0 O-C-N 124.526 1.141 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.2 -70.9 0.84 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 106.375 -2.69 . . . . 0.0 106.375 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.64 -52.34 8.27 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.373 0.69 . . . . 0.0 111.724 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.08 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.424 0.289 . . . . 0.0 110.823 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.92 -49.15 66.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.2 -33.63 72.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.365 0.266 . . . . 0.0 111.062 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.41 -53.81 53.91 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.725 0.693 . . . . 0.0 110.229 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.533 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -72.0 -35.23 69.41 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.706 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.88 -61.8 6.95 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.78 93.38 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.5 -29.78 66.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 117.791 0.796 . . . . 0.0 109.07 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -66.03 -44.7 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.567 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . . . -63.94 -33.6 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.1 96.76 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 106' ' ' ALA . . . -66.31 -36.32 82.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 37' ' ' LYS . . . -58.67 -52.84 63.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.35 -49.84 73.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -14.97 14.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.344 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.97 20.83 72.45 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.629 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -87.56 89.18 7.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.74 -29.69 67.75 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.5 -29.24 37.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.848 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . . . -76.89 -29.49 55.8 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -67.92 -63.8 0.99 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -58.37 -30.66 65.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.96 -58.51 3.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.828 0.314 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -63.44 -48.22 78.64 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.18 -25.79 67.88 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.579 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -71.82 -35.73 70.02 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.55 -43.63 98.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.533 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -64.05 -29.65 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.58 11.83 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -67.08 -19.47 70.05 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.85 -65.0 0.82 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.82 -49.1 77.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.953 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.68 -68.06 0.21 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.253 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -52.16 -29.52 22.53 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 123.131 0.269 . . . . 0.0 111.445 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -62.87 -48.92 76.92 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.37 -41.8 60.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.399 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -46.85 -49.88 19.44 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.288 0.635 . . . . 0.0 111.529 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -74.76 -52.07 12.47 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.538 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . . . -80.0 66.01 5.34 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.017 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -179.6 -177.44 0.42 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 56.31 -165.94 0.13 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.37 -61.09 0.05 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.958 -1.496 . . . . 0.0 109.811 -179.93 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -55.91 -60.02 4.07 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 52.87 58.18 5.61 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.214 0.321 . . . . 0.0 110.498 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . -55.33 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.61 -51.32 28.95 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.57 -42.44 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.391 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -70.07 -51.46 31.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.38 -46.91 62.97 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 123.63 0.581 . . . . 0.0 110.9 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.41 -41.91 97.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -29.85 67.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.47 -38.55 90.13 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -66.04 -46.81 76.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.177 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.49 -28.54 65.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.67 -41.01 65.84 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -63.01 -34.46 77.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.23 -65.8 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.92 -38.34 70.13 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.55 -21.8 74.74 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.55 -40.26 27.89 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.36 -49.52 76.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.28 -53.21 37.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.4 0.68 . . . . 0.0 112.524 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.39 -57.03 14.5 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.855 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -22.3 59.79 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.778 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.31 -42.54 22.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.819 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.04 -36.87 64.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.613 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.35 -50.23 6.83 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -60.58 -33.66 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -64.07 -41.79 97.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -73.61 -26.49 60.82 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -143.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.164 0.186 . . . . 0.0 111.373 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -135.81 -61.12 0.72 Allowed 'General case' 0 C--N 1.34 0.192 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -48.93 174.93 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.072 0.549 . . . . 0.0 111.908 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 103' ' ' ASP . . . -116.71 -4.78 11.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.967 0.907 . . . . 0.0 110.21 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -57.14 -48.18 79.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -62.26 -52.17 64.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB2' ' HA2' ' A' ' 104' ' ' GLY . . . -49.59 -53.91 21.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.84 0.456 . . . . 0.0 111.113 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.85 -45.37 70.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -34.45 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.0 -44.72 79.62 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.59 -45.66 66.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.015 0.822 . . . . 0.0 109.374 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.1 66.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.47 -36.26 81.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.51 -66.11 0.47 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.86 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -41.32 -40.92 1.8 Allowed 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 124.62 1.2 . . . . 0.0 110.214 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -55.5 -42.08 73.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.642 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.55 -45.55 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.522 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -70.47 -29.89 66.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.86 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -52.72 -62.67 1.5 Allowed 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.68 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.38 139.68 35.16 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -126.68 39.53 3.91 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 124.391 1.057 . . . . 0.0 110.319 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 63.3 -150.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 101.441 -3.54 . . . . 0.0 101.441 -176.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 62.64 28.88 0.05 OUTLIER Pre-proline 0 N--CA 1.448 -0.54 0 CA-C-N 121.482 1.946 . . . . 0.0 108.628 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -161.54 -27.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 121.951 1.767 . . . . 0.0 110.17 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -133.87 -19.97 2.01 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.847 0.859 . . . . 0.0 110.102 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -102.83 120.35 52.88 Favored Pre-proline 0 C--N 1.342 0.25 0 C-N-CA 123.508 0.723 . . . . 0.0 109.852 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.509 . . 158.43 -145.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.206 1.937 . . . . 0.0 109.926 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.94 101.13 0.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.32 42.17 2.09 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -158.58 -4.47 0.08 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.567 -0.254 . . . . 0.0 111.061 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 172.8 -131.15 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -54.04 123.0 11.32 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 172.57 -23.32 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.745 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 87.01 -148.45 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 124.227 0.955 . . . . 0.0 108.837 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 67.49 60.59 0.81 Allowed Pre-proline 0 N--CA 1.449 -0.497 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.515 . . 76.39 -114.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 122.049 1.833 . . . . 0.0 109.125 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -152.2 76.25 0.23 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 109.604 -1.399 . . . . 0.0 109.604 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -65.57 -171.15 0.08 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 85.59 127.71 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.131 0.973 . . . . 0.0 109.334 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . -53.71 -69.55 0.12 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -52.9 56.77 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 72' ' ' ALA . . . 70.27 151.48 0.1 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 71' ' ' LYS . . . 167.82 -170.19 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.316 0.579 . . . . 0.0 111.212 -178.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.624 ' HB3' ' C ' ' A' ' 125' ' ' TYR . . . -67.46 -1.09 4.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.854 -1.067 . . . . 0.0 110.691 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -75.02 19.29 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 118.826 -0.606 . . . . 0.0 111.825 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -128.67 74.33 1.56 Allowed 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.803 0.841 . . . . 0.0 108.903 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 174.44 14.42 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.416 ' H ' ' H ' ' A' ' 76' ' ' ALA . . . -164.78 58.49 0.13 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.13 -30.71 2.02 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.155 0.909 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.99 -53.75 34.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.9 -49.32 78.24 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.32 -55.72 25.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.37 -37.66 40.11 Favored Glycine 0 C--N 1.337 0.602 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -65.31 0.59 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.45 -36.72 3.04 Favored 'General case' 0 C--O 1.226 -0.149 0 O-C-N 123.961 0.788 . . . . 0.0 111.183 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.26 -72.97 0.46 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -43.71 -46.3 7.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.631 0.842 . . . . 0.0 110.992 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.25 67.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.223 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.8 -52.25 42.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.44 -36.9 79.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.935 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.03 -52.95 37.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.999 0.428 . . . . 0.0 110.013 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.48 -34.46 63.11 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.417 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.19 -67.42 2.22 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.96 93.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.59 75.59 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.42 -45.0 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 122.933 0.493 . . . . 0.0 110.673 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -66.41 -35.17 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.42 22.35 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.372 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -71.59 -38.65 70.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.187 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.519 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -57.27 -56.01 27.35 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -54.33 -49.45 69.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.15 -18.26 50.23 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -111.08 -120.39 4.03 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.729 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . . . -179.83 -162.38 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.52 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -50.26 -30.92 18.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.7 -75.33 0.08 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.69 0.281 . . . . 0.0 111.399 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.37 94.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.488 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -64.21 -47.48 79.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.281 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.36 -34.9 82.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.98 -58.68 3.78 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.187 0.518 . . . . 0.0 109.791 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.28 -37.16 74.46 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.58 -29.2 68.5 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.053 0.541 . . . . 0.0 111.606 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.91 -30.8 61.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.79 -49.45 70.64 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -59.73 -36.71 77.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.04 -86.35 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.79 -33.29 0.39 Allowed Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.579 0.609 . . . . 0.0 113.706 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -61.93 -61.5 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 117.798 0.799 . . . . 0.0 109.433 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -58.72 -40.9 85.08 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.38 -41.65 94.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.33 88.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.8 -44.58 86.43 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.91 -71.14 0.09 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.12 -21.21 12.22 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -60.19 -59.84 4.77 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.624 ' C ' ' HB3' ' A' ' 73' ' ' ALA . . . -56.26 -81.14 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 174.42 60.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -68.5 174.48 4.11 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.44 178.03 0.17 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.014 -1.469 . . . . 0.0 109.796 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 68.06 60.37 0.42 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.609 ' C ' ' H ' ' A' ' 5' ' ' GLU . . . -73.37 -50.75 20.25 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -68.83 24.09 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.609 ' H ' ' C ' ' A' ' 3' ' ' THR . . . -76.18 -43.22 43.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.42 -41.08 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.11 -51.59 20.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.03 -45.52 61.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.558 0.537 . . . . 0.0 110.794 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.89 -44.08 97.59 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.46 -28.58 67.12 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.93 -38.5 91.18 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.48 -42.45 92.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.39 -26.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.82 -32.95 57.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -74.03 -27.86 61.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.34 -65.9 0.62 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -63.51 -28.41 69.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -32.74 62.55 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.85 -40.09 26.84 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.4 -53.32 59.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.35 -47.99 74.89 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.819 0.847 . . . . 0.0 113.285 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.73 -61.92 1.99 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.649 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -22.98 53.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.631 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -78.86 -47.64 16.17 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.298 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.45 -32.56 70.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.598 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.3 -54.29 3.83 Favored Glycine 0 C--N 1.336 0.554 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.19 -44.32 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -64.9 -35.01 79.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.611 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -78.59 -21.2 48.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.25 -136.78 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 179.18 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -176.19 -92.64 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.456 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 165.17 -35.69 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.61 -47.13 82.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.24 60.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.013 0.125 . . . . 0.0 110.734 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -52.47 34.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.367 0.417 . . . . 0.0 111.064 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.0 -46.33 61.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.371 0.419 . . . . 0.0 110.135 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -61.03 -35.67 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.56 -43.17 90.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.26 -41.56 60.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.011 0.819 . . . . 0.0 108.922 177.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -56.57 -52.22 65.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.98 -33.45 71.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -56.22 -63.48 1.17 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.45 -41.22 0.94 Allowed 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 125.205 1.565 . . . . 0.0 110.505 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -58.59 -45.75 88.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.104 -0.373 . . . . 0.0 110.488 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -69.04 -52.41 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -73.71 67.78 1.19 Allowed 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 100.593 -3.855 . . . . 0.0 100.593 176.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -84.17 139.03 32.68 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 -175.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -80.06 58.59 3.0 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -169.28 -16.89 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -64.79 -106.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 120.664 1.575 . . . . 0.0 111.086 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 70.27 -54.57 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.325 0 O-C-N 123.384 0.427 . . . . 0.0 111.397 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.502 . . -66.16 -82.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 123.769 2.979 . . . . 0.0 111.669 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . 68.67 43.4 1.31 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 152.49 -100.29 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.283 0 O-C-N 125.709 1.88 . . . . 0.0 109.619 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' O ' ' N ' ' A' ' 58' ' ' GLY 2.519 . . 57.23 -163.62 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.872 1.715 . . . . 0.0 107.796 -178.399 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 72.45 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -142.15 -36.28 0.09 OUTLIER Glycine 0 C--N 1.338 0.651 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -167.08 -70.38 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.434 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -70.96 -174.14 0.9 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 52.57 50.14 18.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.587 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.66 -53.72 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 170.51 -79.64 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 71.87 -103.31 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.49 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.511 . . 65.54 173.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 121.968 1.778 . . . . 0.0 110.092 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.4 -164.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.676 0 O-C-N 123.613 0.571 . . . . 0.0 113.178 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 50.34 -169.46 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.981 0.513 . . . . 0.0 112.247 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -74.73 126.92 31.9 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.335 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 174.27 167.51 0.23 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 172.36 -159.37 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . 71.67 48.95 0.29 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.611 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . 104.67 -136.29 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.226 0 O-C-N 125.18 1.55 . . . . 0.0 109.11 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . . . -148.25 90.85 1.85 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . -21.42 -80.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -76.14 -10.4 59.38 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . . . -59.17 -77.59 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -101.68 51.34 0.84 Allowed 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 124.05 0.844 . . . . 0.0 110.627 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.4 -41.55 13.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 123.576 0.548 . . . . 0.0 112.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.94 -55.25 31.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.27 -42.55 70.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.274 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.65 -51.51 68.43 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.09 -38.37 47.68 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -64.74 0.73 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.29 -35.8 2.48 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 124.075 0.859 . . . . 0.0 111.227 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -69.88 1.11 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 107.293 -2.323 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.31 -46.01 17.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.724 0.896 . . . . 0.0 110.472 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.11 -53.51 49.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.131 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.94 -45.53 74.87 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.63 -43.21 89.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.391 0.432 . . . . 0.0 110.439 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.16 -46.04 53.81 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 123.808 0.693 . . . . 0.0 109.719 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -32.46 62.72 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.064 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.51 -66.23 2.99 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.896 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.24 -38.01 93.42 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.29 87.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 117.112 0.456 . . . . 0.0 110.048 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.31 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.43 -36.29 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.98 21.14 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -71.12 -48.35 52.64 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.683 0.278 . . . . 0.0 111.113 -178.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.47 57.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.72 -21.31 18.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . -64.7 -100.87 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.99 -62.96 1.93 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.428 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.38 -151.03 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 117.43 0.615 . . . . 0.0 111.54 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.1 -20.88 1.52 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.165 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -73.62 0.11 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.964 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.34 -37.83 75.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -58.46 -51.58 69.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.05 -41.28 94.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.13 -64.02 1.06 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.58 90.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.252 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.05 -17.69 64.85 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.333 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.93 -32.71 40.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.27 -42.84 92.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.444 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.91 -30.22 66.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.71 -54.37 31.78 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.77 -20.55 76.16 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.33 -63.62 1.24 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.77 -42.63 81.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.264 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.67 -61.13 2.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.156 0.182 . . . . 0.0 110.98 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.99 66.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.032 0.207 . . . . 0.0 110.515 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.18 -44.42 67.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -76.64 -56.53 4.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.109 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -54.22 -28.02 38.29 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.266 0.226 . . . . 0.0 110.814 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.25 -49.54 14.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -60.39 -94.54 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 173.98 56.8 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -76.21 173.4 11.4 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 56.62 60.9 2.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.737 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -64.26 -179.13 0.42 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 173.35 42.78 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.245 0.341 . . . . 0.0 110.406 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -158.47 56.58 0.45 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.97 -49.08 40.36 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.59 -31.3 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.23 -52.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.92 -43.17 49.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.691 0.619 . . . . 0.0 110.803 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.4 -46.6 89.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.31 -30.42 68.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.48 -36.98 84.2 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.99 -41.76 73.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.35 -25.8 66.11 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.81 -42.51 33.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.67 -27.44 66.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.39 -67.02 0.48 Allowed 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.83 -28.42 67.46 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.81 -35.98 73.81 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.1 -40.33 83.17 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.72 -53.21 60.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.84 -48.83 63.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.52 -59.98 3.68 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.37 26.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.848 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -77.98 -47.27 18.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.628 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -66.27 -36.61 83.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.87 -49.38 7.77 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.486 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . . . -62.84 -52.62 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.07 84.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.685 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.01 -19.0 48.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.655 0.207 . . . . 0.0 110.558 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -140.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.5 106.16 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 173.7 -89.85 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 167.24 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.16 -44.85 90.82 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 27' ' ' VAL . . . -57.71 -53.57 56.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.79 -48.81 40.93 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.612 0.57 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.94 -47.1 68.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -54.75 -40.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.78 -41.76 98.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -50.99 -45.92 61.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.835 0.709 . . . . 0.0 110.219 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.5 -54.84 41.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.95 -34.86 72.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.07 -62.31 1.74 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.56 -42.77 1.2 Allowed 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 125.219 1.575 . . . . 0.0 110.827 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.6 -45.21 89.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.807 -0.558 . . . . 0.0 110.343 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.65 -42.36 83.2 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 123.006 0.522 . . . . 0.0 111.373 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.31 68.73 3.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 101.476 -3.527 . . . . 0.0 101.476 172.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.54 -135.18 0.05 Allowed 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.85 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.46 -151.24 0.09 Allowed 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 169.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -92.88 139.1 30.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -76.06 57.34 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.11 -32.61 0.03 OUTLIER Pre-proline 0 N--CA 1.453 -0.303 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -62.29 -19.31 66.56 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 122.25 1.967 . . . . 0.0 109.457 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -88.0 -40.96 13.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -158.18 76.89 3.55 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.49 . . -73.25 -19.39 22.51 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.533 2.155 . . . . 0.0 109.505 177.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.31 114.31 0.9 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.79 127.67 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 112.296 -0.322 . . . . 0.0 112.296 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.447 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 166.83 64.57 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.154 0.581 . . . . 0.0 109.628 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -158.72 154.11 25.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.568 ' O ' ' HA ' ' A' ' 71' ' ' LYS . . . 167.48 168.0 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.412 -1.28 . . . . 0.0 107.929 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.431 ' CB ' ' H ' ' A' ' 72' ' ' ALA . . . -153.99 168.41 26.52 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 119.594 1.088 . . . . 0.0 110.646 -178.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -176.68 19.89 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.515 0.509 . . . . 0.0 111.243 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 37.37 -150.77 0.0 OUTLIER Pre-proline 0 C--N 1.34 0.166 0 O-C-N 124.449 1.093 . . . . 0.0 113.117 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 48.79 26.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.32 2.68 . . . . 0.0 111.925 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.75 172.56 35.61 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -55.48 -60.51 3.32 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 63.27 168.79 0.14 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.702 0.401 . . . . 0.0 111.171 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -160.57 -67.05 0.07 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.37 -65.15 0.96 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 61' ' ' SER . . . 58.41 -174.47 0.09 Allowed 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.348 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 73' ' ' ALA . . . -100.59 131.5 46.46 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . 149.73 -80.6 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 54.84 -76.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.432 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.559 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 173.98 -94.62 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 118.027 0.376 . . . . 0.0 110.864 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.926 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . . . -76.89 -59.31 2.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 169.14 -169.18 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.84 -33.35 4.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 124.104 0.877 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.47 -60.1 2.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.656 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.926 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . . . -53.61 -45.41 70.07 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.19 -44.83 79.8 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.95 -38.54 85.46 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.769 -1.733 . . . . 0.0 108.769 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -64.62 0.77 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.715 0.258 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -50.91 -38.5 50.33 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -63.92 3.88 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 106.83 -2.508 . . . . 0.0 106.83 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.67 -40.44 39.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.749 -0.725 . . . . 0.0 109.72 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -55.11 -53.49 55.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.156 0.503 . . . . 0.0 111.153 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.547 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.59 -39.43 73.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.29 -41.96 85.54 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.31 -36.97 45.06 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.225 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.768 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -75.8 -36.75 59.63 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.201 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.22 -66.49 2.59 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.012 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.04 -35.92 84.89 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.64 -45.78 73.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 117.107 0.454 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.81 -41.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.15 -50.48 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.94 88.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.949 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.94 -41.63 83.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.459 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -46.0 81.92 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.56 -46.53 70.28 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -106.56 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.47 -157.2 27.93 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 66.5 140.68 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.11 -7.63 88.35 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.71 -61.74 1.65 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.44 83.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -70.37 -20.94 62.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.85 -51.42 4.8 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.2 86.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.17 21.47 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.165 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.51 -24.97 65.73 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.57 -36.24 44.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.41 -45.42 80.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.768 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -69.73 -28.46 65.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.571 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.21 67.25 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.51 -25.8 67.04 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.96 -54.11 17.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.59 -49.04 70.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.65 -55.01 34.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.36 -41.28 60.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.358 0.411 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.54 -52.55 61.7 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -64.25 -43.66 94.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.22 -35.74 65.24 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -72.31 -36.74 68.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -54.24 -61.73 2.11 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' GLU . . . -167.88 -59.58 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 68.39 -55.52 0.52 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -162.45 178.17 8.86 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.946 -1.502 . . . . 0.0 109.813 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -63.13 -59.28 4.99 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 54.39 51.92 13.37 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.185 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.85 97.89 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.22 -53.34 14.74 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.76 -39.26 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.89 -48.32 54.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.29 -45.99 62.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 123.674 0.609 . . . . 0.0 110.721 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.81 -42.79 98.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.35 -32.31 69.99 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.37 -38.48 87.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.05 -43.43 82.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.015 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.18 -24.99 65.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.32 -37.37 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -28.5 65.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.23 -67.34 0.47 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.49 -32.17 70.02 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.29 -23.05 78.18 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.26 22.43 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.02 -49.56 76.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.04 -45.47 79.18 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.58 0.752 . . . . 0.0 112.193 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.46 -61.43 2.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -20.81 18.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.504 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.616 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.46 -41.81 23.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.971 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.29 -33.44 61.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.0 -47.21 8.65 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 107.187 -2.365 . . . . 0.0 107.187 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.48 -37.56 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -58.71 -41.71 86.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.12 -73.81 0.23 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.2 62.1 4.05 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.166 0.586 . . . . 0.0 110.394 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -71.28 -175.66 1.29 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 175.22 -62.81 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.79 -48.78 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.58 -48.51 79.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.568 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.52 -54.02 51.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.05 0.14 . . . . 0.0 111.042 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.95 24.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.388 0.43 . . . . 0.0 111.338 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.35 -46.98 69.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.029 0.205 . . . . 0.0 110.658 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -38.17 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.628 0.251 . . . . 0.0 110.979 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.55 -44.27 82.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -52.98 -46.03 68.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 123.872 0.732 . . . . 0.0 109.91 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.43 71.05 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.65 -39.66 89.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -52.97 -67.19 0.27 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.291 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.9 -42.54 3.73 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 124.272 0.982 . . . . 0.0 111.816 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.0 -40.75 77.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -73.31 -45.74 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.96 -61.46 2.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.287 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.7 7.87 11.38 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.94 0.496 . . . . 0.0 111.264 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -52.25 -73.16 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 125.19 77.56 0.0 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 126.225 1.81 . . . . 0.0 107.237 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -53.65 -55.42 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.859 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.18 83.81 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.513 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.509 . . -176.43 9.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 121.317 1.345 . . . . 0.0 111.514 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -151.63 1.99 0.38 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.346 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -106.42 93.43 8.29 Favored Pre-proline 0 C--N 1.342 0.257 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -163.97 -147.31 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.437 1.425 . . . . 0.0 111.038 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.16 102.06 0.27 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.22 10.91 0.08 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 175.26 -77.72 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 117.315 0.558 . . . . 0.0 109.933 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.931 ' H ' ' HB3' ' A' ' 72' ' ' ALA . . . 64.05 72.82 0.45 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.767 ' H ' ' HB2' ' A' ' 73' ' ' ALA . . . -70.5 -51.7 27.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -55.77 -35.76 66.59 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -53.13 -70.35 0.09 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.376 0.423 . . . . 0.0 110.02 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -145.95 176.53 2.16 Favored Pre-proline 0 N--CA 1.454 -0.268 0 O-C-N 123.722 0.639 . . . . 0.0 109.371 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.501 . . -59.5 135.95 68.15 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.826 1.684 . . . . 0.0 110.037 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.49 176.19 47.93 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -73.21 -95.31 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 46.56 -157.34 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.749 0.655 . . . . 0.0 111.598 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -161.06 -43.47 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 172.15 38.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -83.54 -62.07 1.67 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.084 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.931 ' HB3' ' H ' ' A' ' 60' ' ' SER . . . -106.31 -24.64 12.22 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.046 0.938 . . . . 0.0 108.478 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.769 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -53.97 -65.99 0.47 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -3.75 44.15 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.769 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -56.67 149.38 17.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 143.04 61.88 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 -176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 49.56 96.19 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -50.64 -39.3 50.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.491 0.316 . . . . 0.0 110.359 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -58.96 -50.39 74.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.59 -37.78 68.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.413 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.15 -50.72 70.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.07 -38.96 48.67 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.04 -66.88 0.32 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 119.093 -0.48 . . . . 0.0 109.794 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -42.34 -36.24 1.21 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.248 0.968 . . . . 0.0 111.244 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.82 -72.04 0.62 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.03 -48.34 11.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.368 0.687 . . . . 0.0 111.426 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.16 -50.49 61.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.509 0.324 . . . . 0.0 110.604 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.21 -42.13 76.7 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.65 -42.04 91.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.192 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.73 -47.6 59.23 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.248 0.546 . . . . 0.0 109.601 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -71.06 -35.47 71.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.465 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.61 -67.84 2.0 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.889 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.78 -37.82 92.62 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.14 -35.29 79.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 117.496 0.648 . . . . 0.0 110.348 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.53 -44.07 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -60.99 -37.91 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.95 -50.3 73.04 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.81 71.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . . . -58.58 -52.46 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.32 -53.34 24.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.69 -23.19 16.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.73 16.3 80.26 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -81.69 87.32 6.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.05 -29.68 56.13 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.41 37.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.566 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -75.51 -40.55 56.92 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.757 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -77.96 -25.73 48.36 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.61 -46.76 11.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.11 71.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.36 60.43 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.91 -28.32 69.44 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.055 0.389 . . . . 0.0 111.152 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.42 -32.08 64.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.14 -42.64 98.91 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.402 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -72.2 -26.77 62.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.1 -56.05 18.18 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -75.08 -19.37 79.89 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.62 -64.75 0.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.16 -48.12 83.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.45 -49.46 72.42 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -55.04 -39.0 68.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.69 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.79 -54.82 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.143 0.177 . . . . 0.0 111.214 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.11 -56.41 8.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -49.2 -27.64 3.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.87 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -80.27 -73.11 0.38 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -80.08 33.56 0.28 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 171.98 64.25 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -67.12 -63.73 1.0 Allowed 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.7 58.69 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 117.028 -1.463 . . . . 0.0 109.754 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -74.7 -44.5 49.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -54.96 -52.28 63.54 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.322 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -169.72 76.16 0.09 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.25 -54.78 15.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.4 -35.77 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.262 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.22 -51.2 32.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.29 -46.58 46.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 123.787 0.679 . . . . 0.0 111.131 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.67 -44.79 96.06 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.89 -30.14 67.54 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.04 -38.62 91.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.57 -42.51 78.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.233 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.45 -26.1 66.5 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.22 -39.46 48.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.12 -29.75 68.74 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.87 -67.24 0.47 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.1 -31.65 69.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -21.94 78.76 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.4 -40.69 18.55 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.536 -1.825 . . . . 0.0 108.536 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.749 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.62 -47.53 84.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.39 -46.87 82.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.433 0.693 . . . . 0.0 112.483 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.73 -64.83 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 110.786 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.78 -20.21 14.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.749 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.24 -43.28 21.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.771 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.26 -33.46 67.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.142 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.18 -47.19 11.37 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.061 -2.016 . . . . 0.0 108.061 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.26 -36.76 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -58.9 -43.76 91.09 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.146 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.93 -74.31 0.23 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.38 61.76 6.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 122.909 0.483 . . . . 0.0 110.112 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -73.41 -175.93 2.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.605 0.24 . . . . 0.0 110.484 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 172.98 -60.16 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 169.26 -49.36 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.553 0.533 . . . . 0.0 109.701 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.78 -48.0 76.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.718 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.61 31.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 122.036 0.135 . . . . 0.0 111.278 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.98 -53.13 35.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.575 0.35 . . . . 0.0 111.235 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.61 -46.93 67.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.044 0.215 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -64.36 -33.17 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.522 0.201 . . . . 0.0 110.781 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.68 -46.57 62.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.48 -43.37 75.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.818 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.72 78.04 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.37 -41.1 88.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.63 -64.22 0.89 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.28 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -48.59 -40.47 27.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -74.07 -47.55 35.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.456 0.571 . . . . 0.0 111.954 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.3 -66.22 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.49 -38.54 91.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.979 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -70.62 137.43 49.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.16 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -34.18 62.22 0.0 OUTLIER 'General case' 0 C--N 1.345 0.389 0 CA-C-O 125.466 2.555 . . . . 0.0 113.937 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.979 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -125.02 -28.68 3.42 Favored 'General case' 0 N--CA 1.442 -0.851 1 CA-C-N 106.125 -5.034 . . . . 0.0 104.066 171.46 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.705 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -90.07 -41.49 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 123.361 0.665 . . . . 0.0 110.177 177.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.37 69.21 0.0 OUTLIER Pre-proline 0 N--CA 1.451 -0.386 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.705 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.522 . . -169.64 25.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.706 2.271 . . . . 0.0 109.707 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -108.81 -51.01 2.94 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -71.51 -170.56 0.15 Allowed Pre-proline 0 N--CA 1.448 -0.537 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . 70.96 142.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.447 2.098 . . . . 0.0 108.039 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 44.12 34.46 0.98 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.745 0.418 . . . . 0.0 111.677 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.16 -145.35 17.8 Favored Glycine 0 C--N 1.34 0.755 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.431 ' CB ' ' CB ' ' A' ' 62' ' ' THR . . . -77.29 -56.41 4.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 70.0 100.64 0.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.613 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.736 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . . . 56.34 20.45 4.67 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.551 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.431 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -80.16 136.68 36.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 173.87 -149.36 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.175 0.297 . . . . 0.0 110.263 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -142.06 -72.76 0.02 OUTLIER Pre-proline 0 N--CA 1.453 -0.29 0 O-C-N 124.066 0.854 . . . . 0.0 109.193 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.507 . . 161.57 10.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 121.872 1.715 . . . . 0.0 110.917 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.95 24.88 0.05 OUTLIER Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -76.98 172.8 12.6 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -159.97 151.7 20.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.55 0.214 . . . . 0.0 110.74 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 174.3 -79.32 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 171.63 76.01 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -164.04 -25.77 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 119.485 -0.293 . . . . 0.0 111.264 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . 69.54 126.81 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.291 0.567 . . . . 0.0 112.208 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.06 -25.67 0.36 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.134 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 64.14 -149.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -154.8 29.9 0.42 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.736 ' HB2' ' CB ' ' A' ' 61' ' ' SER . . . 51.85 24.71 2.64 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.713 -178.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -85.3 68.76 10.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.068 0.547 . . . . 0.0 111.218 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.28 -44.14 16.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.736 0.648 . . . . 0.0 112.259 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.44 -63.48 1.06 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -51.48 -46.74 63.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.63 -45.66 77.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.84 -39.55 77.96 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.5 -65.63 0.53 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.318 -0.373 . . . . 0.0 110.252 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -47.27 -35.75 8.23 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 123.893 0.746 . . . . 0.0 109.984 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.02 -65.52 3.18 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 106.57 -2.612 . . . . 0.0 106.57 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.89 -44.38 39.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.39 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -52.2 -52.74 50.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.533 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.2 -39.85 73.07 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.99 -41.62 83.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.62 -38.54 55.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.793 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -73.58 -36.54 65.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.36 -66.51 2.75 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 113.863 -1.517 . . . . 0.0 109.832 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.31 -39.31 96.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.15 -45.79 72.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 117.252 0.526 . . . . 0.0 110.495 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -64.09 -40.36 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.24 -50.94 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.43 73.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.017 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.24 68.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -55.62 -48.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.93 -38.63 57.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.417 0.448 . . . . 0.0 110.272 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.12 -104.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.17 -53.56 0.24 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.88 129.33 3.48 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.28 -4.94 89.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.19 -44.29 18.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.05 -32.51 63.34 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.104 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.78 -62.47 1.85 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.94 93.07 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.19 -58.84 4.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.6 74.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.74 -22.17 66.06 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.619 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.68 -34.08 40.59 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.22 -42.39 95.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.793 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.97 -28.64 66.81 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.25 87.03 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.09 -23.62 61.06 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -66.54 -54.86 19.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.27 -46.8 79.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.81 -47.21 80.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.74 80.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.76 -47.15 74.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.406 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.88 -58.92 2.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.798 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -51.67 -30.88 23.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.509 0.323 . . . . 0.0 110.83 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 126' ' ' ARG . . . -77.62 -65.62 0.94 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -76.06 38.35 0.17 Allowed 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 124' ' ' ASP . . . -78.23 -172.92 3.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -160.33 169.28 23.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 174.98 -178.41 0.11 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.023 -1.465 . . . . 0.0 109.811 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -178.12 179.81 0.8 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 69.92 74.15 0.22 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -159.78 59.34 0.37 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.26 -40.93 58.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.96 -42.67 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.465 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.67 -52.92 17.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.58 -45.64 48.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.658 0.599 . . . . 0.0 111.003 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.18 95.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -28.41 66.77 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.71 -38.35 90.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.44 78.0 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.17 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.7 -26.64 68.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.03 -40.5 53.32 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.93 -26.07 64.9 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -67.37 -69.07 0.33 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.45 -28.63 68.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.42 -21.96 79.08 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.3 -39.77 18.0 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.034 -2.026 . . . . 0.0 108.034 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.53 -48.17 81.74 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.23 -43.76 92.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.381 0.673 . . . . 0.0 112.176 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.54 -61.11 2.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 39' ' ' GLU . . . -57.75 -21.44 41.29 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.541 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.42 -43.86 20.27 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.43 -32.78 71.96 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.595 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.18 -47.42 7.01 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.397 -1.881 . . . . 0.0 108.397 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.27 -39.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.77 97.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.376 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -35.04 79.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.48 -125.33 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -121.64 -103.65 0.39 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 172.13 98.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -157.26 -105.56 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -67.32 -49.45 64.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.99 62.1 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.11 0.164 . . . . 0.0 111.045 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.11 -49.97 62.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.17 0.294 . . . . 0.0 110.631 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.77 -44.16 69.8 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.096 0.248 . . . . 0.0 110.392 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.51 -32.14 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.819 -0.173 . . . . 0.0 110.739 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' CB ' ' HB1' ' A' ' 23' ' ' ALA . . . -71.58 -46.53 59.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -54.92 -40.35 69.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.703 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.98 74.15 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.4 -43.52 92.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.46 -58.39 7.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.03 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 1.314 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -51.2 -39.13 55.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -78.46 -50.28 11.94 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -75.66 -63.15 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -54.77 -24.76 24.02 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.045 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.314 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . -42.38 138.57 1.71 Allowed 'General case' 0 C--N 1.341 0.208 0 C-N-CA 123.692 0.797 . . . . 0.0 112.438 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.34 118.38 0.81 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . 172.97 11.94 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.875 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -62.71 -53.67 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 117.901 0.318 . . . . 0.0 111.095 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' C ' ' H ' ' A' ' 54' ' ' LEU . . . -60.49 -42.49 88.82 Favored Pre-proline 0 N--CA 1.449 -0.52 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.505 . . -64.59 4.66 0.57 Allowed 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 121.986 1.791 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 52' ' ' ALA . . . -52.29 -47.9 65.64 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 119.137 -0.459 . . . . 0.0 110.929 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' ALA . . . 165.23 154.42 0.07 OUTLIER Pre-proline 0 C--N 1.34 0.161 0 O-C-N 123.524 0.515 . . . . 0.0 111.214 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.433 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . -71.56 64.92 2.99 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 N-CA-C 106.371 -2.203 . . . . 0.0 106.371 177.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 56' ' ' PRO . . . 66.3 176.99 0.22 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.225 -177.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.21 -24.54 1.57 Allowed Glycine 0 C--N 1.336 0.549 0 N-CA-C 108.704 -1.758 . . . . 0.0 108.704 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -147.52 42.13 1.07 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 168.48 176.01 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 54.07 21.52 3.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 171.29 179.99 0.06 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 178.26 -159.37 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -155.51 -59.72 0.02 OUTLIER Pre-proline 0 N--CA 1.45 -0.432 0 O-C-N 123.558 0.536 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 178.97 -31.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 121.483 1.455 . . . . 0.0 110.359 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.51 100.87 0.2 Allowed Glycine 0 C--N 1.338 0.643 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -158.64 177.89 10.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 70.9 -77.75 0.05 Allowed 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 174.29 -55.42 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -177.72 47.79 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -166.54 31.65 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.41 -26.71 61.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.643 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . -54.77 -17.42 3.48 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.543 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -63.08 23.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.204 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.643 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -127.89 82.54 2.09 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.843 0.857 . . . . 0.0 109.512 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 177.88 -46.65 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -100.14 50.48 0.9 Allowed 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 124.144 0.903 . . . . 0.0 109.078 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.41 -34.73 2.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 123.985 0.803 . . . . 0.0 111.804 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.96 -54.08 21.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.645 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.14 -49.72 73.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.94 -48.63 75.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.54 -39.3 59.98 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -66.18 0.43 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 119.17 -0.443 . . . . 0.0 109.997 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.8 -35.25 1.83 Allowed 'General case' 0 C--N 1.34 0.192 0 O-C-N 124.179 0.924 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.48 1.63 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.4 -47.08 37.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.958 -0.621 . . . . 0.0 110.959 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.37 50.42 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.335 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.86 -37.86 71.9 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.667 0.604 . . . . 0.0 110.652 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.17 -43.51 61.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.53 0.681 . . . . 0.0 109.422 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.06 -33.86 63.83 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.587 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.53 -64.81 4.03 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.262 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.66 -36.52 87.92 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -56.48 -38.01 71.14 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.546 0.673 . . . . 0.0 110.161 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.51 -41.95 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.472 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.74 -50.82 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.57 64.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.627 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.27 66.96 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -56.35 -50.94 70.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -73.54 -51.24 17.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.39 -27.29 46.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.01 78.76 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -84.55 85.52 7.41 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -26.36 56.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.76 -31.57 35.83 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.543 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -74.79 -36.51 62.5 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.181 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.72 40.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 122.756 0.423 . . . . 0.0 110.389 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.21 12.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -65.09 -57.02 9.68 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.469 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.42 -26.59 66.82 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.93 -33.13 59.85 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -58.53 -42.37 87.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.68 -26.78 57.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.24 -57.6 14.75 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.93 -17.62 76.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.85 -55.66 12.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.22 -45.06 86.25 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.78 -46.76 84.13 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.77 74.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.74 -50.38 72.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.06 -61.62 1.84 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -50.75 -24.69 3.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 123.49 0.494 . . . . 0.0 110.809 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -74.29 -70.34 0.4 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -68.36 -58.04 4.97 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -69.28 -160.06 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -161.4 62.52 0.27 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 63.88 -179.38 0.16 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.012 -1.471 . . . . 0.0 109.675 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.49 -59.46 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -161.96 -179.9 7.51 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 172.86 -83.33 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.29 -37.12 45.59 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.49 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.5 -47.82 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.707 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' CB ' ' HB1' ' A' ' 70' ' ' ALA . . . -70.38 -50.29 40.36 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.12 -49.11 61.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.504 0.502 . . . . 0.0 111.19 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.15 -32.02 70.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.73 -38.88 92.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.79 -45.52 92.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.064 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.15 -29.15 67.21 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -71.27 -38.49 71.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.49 -38.52 91.32 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.62 -64.69 0.85 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.29 -34.93 64.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.57 -72.17 0.63 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.71 -43.4 2.3 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 124.48 1.038 . . . . 0.0 114.142 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -59.25 -53.04 62.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 118.953 1.376 . . . . 0.0 108.078 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.75 -49.28 65.8 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.083 0.553 . . . . 0.0 111.922 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.13 -60.21 3.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.521 0.328 . . . . 0.0 111.218 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -20.78 22.86 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.16 -47.12 15.22 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.711 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.85 -30.18 66.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.243 0.217 . . . . 0.0 111.514 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -50.47 5.45 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.54 -46.95 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.75 92.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.65 -21.48 52.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -140.79 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.62 65.27 0.31 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -158.21 -157.9 0.67 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.87 -22.07 0.79 Allowed 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.922 0.764 . . . . 0.0 110.073 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.61 -47.14 85.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.99 75.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -50.23 56.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.342 0.401 . . . . 0.0 110.576 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.77 -46.25 67.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -60.25 -35.0 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.86 -44.34 85.71 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.33 -44.95 62.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.124 0.89 . . . . 0.0 109.11 177.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -53.31 -49.37 67.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.22 -34.87 77.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.94 -56.74 16.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -43.42 -45.29 6.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.324 1.015 . . . . 0.0 110.034 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -55.87 -48.55 75.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.556 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.91 -45.8 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.66 67.26 4.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 101.767 -3.42 . . . . 0.0 101.767 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.53 -133.27 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -172.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -82.02 -145.65 0.06 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 102.795 -3.039 . . . . 0.0 102.795 171.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -81.42 111.18 17.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 174.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -52.35 -41.27 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 122.49 0.316 . . . . 0.0 111.416 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.23 164.65 0.45 Allowed Pre-proline 0 N--CA 1.452 -0.371 0 O-C-N 123.522 0.514 . . . . 0.0 110.602 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . 82.03 19.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.71 2.94 . . . . 0.0 111.799 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -122.04 -15.91 7.66 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.41 1.084 . . . . 0.0 108.99 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -99.73 -151.93 0.01 OUTLIER Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 123.711 0.805 . . . . 0.0 108.856 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.72 ' O ' ' N ' ' A' ' 58' ' ' GLY 2.51 . . 83.49 -138.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.67 2.247 . . . . 0.0 111.375 178.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.68 65.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.584 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -97.83 -143.78 15.61 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -85.08 -61.18 1.83 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.697 ' CB ' ' HB3' ' A' ' 72' ' ' ALA . . . 71.42 116.64 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.798 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 51.71 41.54 29.1 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.792 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 55.8 84.29 0.08 Allowed 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -83.28 17.47 2.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 123.3 0.375 . . . . 0.0 111.157 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -161.6 67.71 2.25 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.515 . . 75.67 -89.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 121.915 1.743 . . . . 0.0 108.558 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -152.26 64.31 0.37 Allowed Glycine 0 C--N 1.336 0.573 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -59.34 -178.57 0.06 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.676 0.274 . . . . 0.0 110.851 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -81.88 -146.19 0.06 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.895 0.478 . . . . 0.0 110.209 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -76.66 124.87 28.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.398 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 170.58 55.71 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -81.74 109.09 15.82 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.697 ' HB3' ' CB ' ' A' ' 60' ' ' SER . . . -82.08 -42.48 19.13 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' H ' ' CB ' ' A' ' 60' ' ' SER . . . -102.65 97.61 7.78 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -152.65 109.66 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 O-C-N 123.767 0.667 . . . . 0.0 112.155 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 82.98 -150.61 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.17 0.919 . . . . 0.0 111.505 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.768 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . . . -77.45 178.4 7.23 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -51.83 167.58 0.11 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 122.529 0.332 . . . . 0.0 111.814 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.73 -31.03 2.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 124.145 0.903 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.78 -61.99 1.68 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.57 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.768 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . . . -55.54 -42.62 74.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.51 -49.5 72.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.14 -37.89 55.27 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.82 -66.71 0.35 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 119.097 -0.478 . . . . 0.0 109.994 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.47 -34.55 1.36 Allowed 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.932 0.77 . . . . 0.0 110.845 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.81 -70.1 1.06 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 106.723 -2.551 . . . . 0.0 106.723 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.06 -48.66 16.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.387 0.698 . . . . 0.0 111.294 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.02 63.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.911 0.386 . . . . 0.0 110.475 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.24 -46.19 69.06 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.85 -37.75 80.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.95 -49.45 63.15 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.04 -36.32 69.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.932 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.89 -67.84 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.642 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.85 -37.71 94.64 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.59 -34.06 76.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 117.562 0.681 . . . . 0.0 110.032 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.67 -45.25 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -65.7 -37.31 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.91 28.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.5 67.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -63.69 -51.66 64.07 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.39 -39.25 60.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.3 -104.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 175.25 26.68 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.418 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -96.48 88.12 4.61 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.558 0.743 . . . . 0.0 109.582 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.17 56.74 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.01 37.34 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.698 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -76.56 -35.68 58.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.487 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -78.27 -29.32 47.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.14 -45.89 9.76 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.78 65.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.698 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.2 -50.3 70.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -59.96 -31.16 69.63 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 122.466 0.306 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.72 -30.04 63.86 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.27 -46.05 90.53 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -66.78 -25.96 66.73 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.62 36.15 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -69.41 -23.36 76.49 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -70.05 -56.06 7.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -60.46 -51.38 69.69 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.64 -44.07 76.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -53.0 -47.21 68.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.221 0.325 . . . . 0.0 110.288 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.27 -51.81 66.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.64 -40.05 82.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -68.84 -25.38 64.62 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -72.03 -49.67 34.9 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -55.26 -61.38 2.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -167.33 -64.02 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 175.45 -173.04 0.08 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.03 -58.17 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.953 -1.498 . . . . 0.0 109.767 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -164.37 177.71 8.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -68.53 -57.35 5.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -161.68 61.22 0.26 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.43 -40.4 61.98 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.8 -44.59 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.575 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.72 -52.97 15.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.95 -44.41 63.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.497 0.498 . . . . 0.0 110.521 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.82 99.51 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -27.49 67.25 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.25 -38.47 87.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.6 69.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.6 -25.3 66.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.01 -40.49 38.81 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.98 -23.1 63.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.571 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.429 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -70.7 -68.59 0.42 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.29 -31.65 67.68 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.73 72.16 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.05 -40.29 62.27 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.282 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.739 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.72 -48.72 80.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.219 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -53.13 -49.43 66.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.503 0.721 . . . . 0.0 112.529 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.49 -65.03 0.74 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.98 29.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.739 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -79.12 -37.2 39.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.728 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.67 -38.97 58.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.407 0.283 . . . . 0.0 111.299 -178.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.98 -46.73 21.5 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -58.02 -47.57 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.65 68.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.899 179.126 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.56 -33.05 75.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.18 -95.72 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -153.15 -102.18 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . 173.06 105.67 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.49 -106.38 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -69.09 -43.11 75.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.53 23.67 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 32' ' ' ASP . . . -49.97 -49.39 50.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.78 0.432 . . . . 0.0 111.253 -179.679 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.09 -44.07 78.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.08 -36.89 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -74.49 -51.08 15.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.118 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -53.62 -44.04 69.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.758 0.661 . . . . 0.0 109.501 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.3 91.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.089 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.07 -47.74 82.26 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.87 -55.34 31.49 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.064 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.851 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -48.74 -44.1 38.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.083 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -72.38 -48.6 40.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -80.45 -72.76 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.064 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -61.39 -37.51 83.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.044 -176.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.915 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -79.27 -149.91 0.05 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.395 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.404 ' H ' ' HB1' ' A' ' 48' ' ' ALA . . . -39.8 51.96 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.507 1.13 . . . . 0.0 113.099 -178.312 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.915 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -139.96 -34.87 0.53 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.816 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -94.25 133.66 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.051 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 51' ' ' VAL . . . 162.14 -5.12 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.268 0 C-N-CA 123.565 0.746 . . . . 0.0 109.638 -178.32 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.516 . . -171.74 74.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.29 1.993 . . . . 0.0 111.513 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -86.59 -17.4 34.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.398 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -152.99 65.55 5.7 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . 58.49 -109.67 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 122.178 1.918 . . . . 0.0 109.717 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.81 23.18 2.41 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.801 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 87.39 37.84 7.99 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 -178.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 55.43 -60.53 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.801 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 71.24 78.76 0.17 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.084 179.309 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.425 ' CB ' ' CB ' ' A' ' 75' ' ' TRP . . . -65.13 -176.69 0.31 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 174.49 57.99 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 69.37 93.84 0.08 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 173.63 -160.08 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.451 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 71.68 140.56 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 122.542 2.161 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.34 67.16 0.26 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -158.67 -146.85 0.16 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -153.43 134.85 14.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 123.391 0.432 . . . . 0.0 109.878 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . 171.44 84.37 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.64 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 69' ' ' GLU . . . 69.16 177.1 0.27 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -178.333 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -57.07 -25.06 58.08 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.867 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 73' ' ' ALA . . . -9.25 125.54 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 126.059 2.099 . . . . 0.0 113.76 177.588 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 72' ' ' ALA . . . 154.79 -73.14 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -175.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.48 ' C ' ' H ' ' A' ' 76' ' ' ALA . . . 57.99 -114.65 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.635 178.679 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.425 ' CB ' ' CB ' ' A' ' 61' ' ' SER . . . 75.07 -36.61 0.32 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 74' ' ' ILE . . . -69.68 79.46 0.43 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.142 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 72.41 67.98 0.13 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.484 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.79 -35.45 22.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.448 0.467 . . . . 0.0 109.92 177.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.31 -53.97 49.92 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.56 -40.1 68.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.9 -48.61 75.34 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.11 62.76 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.08 14.11 Favored 'General case' 0 C--O 1.226 -0.147 0 O-C-N 123.573 0.545 . . . . 0.0 110.693 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.7 -70.2 0.98 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 177.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.27 -44.76 33.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 124.397 0.704 . . . . 0.0 110.756 177.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.0 -51.23 62.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.76 -42.87 68.69 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.14 -41.48 96.82 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.271 0.357 . . . . 0.0 110.417 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -49.66 -42.92 46.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.55 0.69 . . . . 0.0 109.147 178.227 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -75.82 -36.25 59.76 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.824 177.554 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.24 -66.43 2.73 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-N 114.018 -1.447 . . . . 0.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.06 -37.09 87.05 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -58.21 -40.0 80.47 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.37 -42.86 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.656 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . . . -57.88 -44.72 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.117 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.58 -53.37 57.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.325 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.56 67.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.754 ' HB2' ' CB ' ' A' ' 40' ' ' ALA . . . -55.13 -54.36 44.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -66.07 -50.35 64.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.66 -23.89 44.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.84 24.59 76.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -91.95 91.9 8.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.88 -22.62 66.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.23 29.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -71.11 -34.3 70.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.663 179.194 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.73 40.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.719 0.408 . . . . 0.0 110.44 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.55 -47.19 12.78 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 178.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.94 81.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -64.29 -57.83 8.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.927 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -56.86 -28.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 122.717 0.407 . . . . 0.0 111.702 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.48 -34.59 65.4 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -56.7 -43.41 80.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.347 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.441 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.01 -27.64 60.21 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.741 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.5 -58.33 8.74 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.46 -22.12 77.85 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.33 -55.98 11.63 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.52 -46.97 80.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.32 -50.66 69.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.27 -43.46 61.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.47 0.481 . . . . 0.0 110.135 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.43 -50.84 66.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.95 -41.58 98.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.96 -31.75 63.25 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -71.87 -43.67 65.06 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -69.38 -145.2 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -159.7 -54.38 0.06 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 64.58 -168.2 0.21 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 69.38 -58.84 0.5 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.962 -1.494 . . . . 0.0 109.753 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' VAL . . . -56.24 -56.92 15.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -55.82 -55.78 28.4 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.46 -43.1 75.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.28 -44.35 59.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.57 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -62.66 -38.9 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.424 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.01 -51.97 14.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.69 -44.05 62.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.422 0.451 . . . . 0.0 110.573 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.53 98.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.47 -27.98 66.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.37 -38.78 88.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.28 76.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.84 -22.51 64.29 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.062 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.06 -43.15 22.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.116 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.8 -22.78 66.59 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -75.77 -65.36 0.91 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.6 -37.66 70.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.01 56.68 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.97 96.59 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.564 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.32 -50.99 71.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -47.27 -52.07 17.16 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.477 0.711 . . . . 0.0 112.682 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.04 -61.09 2.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -40.81 66.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 110.2 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.429 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -67.62 -51.94 44.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -58.86 -42.38 89.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.83 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.99 6.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.94 -55.36 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -63.24 -27.94 69.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -59.54 -77.04 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.791 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -37.86 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 O-C-N 125.003 1.439 . . . . 0.0 111.154 178.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -148.8 -62.94 0.24 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 177.401 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.841 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . 73.6 -176.88 0.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.677 176.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 155.8 -73.86 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -79.43 -37.64 36.57 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.3 -57.31 5.48 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.322 179.131 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.841 ' HB2' ' CB ' ' A' ' 32' ' ' ASP . . . -53.97 -41.71 68.15 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.313 0.245 . . . . 0.0 110.546 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.675 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -59.36 -39.88 84.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -59.11 -35.83 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.68 -42.15 82.57 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -53.48 -44.19 68.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.23 0.956 . . . . 0.0 109.703 177.399 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.59 70.49 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.043 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -63.08 -46.11 88.96 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -50.79 -62.42 1.62 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.002 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -46.64 -45.36 19.11 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.777 0.673 . . . . 0.0 111.988 178.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.19 -39.62 66.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -74.88 -39.54 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.949 178.414 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -48.64 -48.11 39.83 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.595 0.758 . . . . 0.0 111.853 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.11 -85.16 0.07 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.55 141.49 0.38 Allowed 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 124.733 1.271 . . . . 0.0 111.907 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -134.17 -150.56 0.4 Allowed 'General case' 0 CA--C 1.52 -0.211 0 O-C-N 124.859 1.349 . . . . 0.0 111.627 -177.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -147.4 41.11 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 O-C-N 124.0 0.812 . . . . 0.0 110.472 -178.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.22 -31.01 0.39 Allowed Pre-proline 0 N--CA 1.448 -0.56 0 N-CA-C 105.531 -2.026 . . . . 0.0 105.531 176.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -96.04 -4.08 1.82 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 124.247 3.298 . . . . 0.0 110.369 179.035 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -91.36 -21.67 20.89 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -162.71 169.07 9.55 Favored Pre-proline 0 N--CA 1.449 -0.483 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.511 . . 151.84 -32.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.241 2.627 . . . . 0.0 108.863 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.1 101.0 3.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.61 60.41 2.21 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.432 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -159.71 24.56 0.18 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 173.81 172.08 0.18 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 173.83 -157.6 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.346 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.972 ' O ' ' HB1' ' A' ' 72' ' ' ALA . . . -69.44 -143.98 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.284 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -101.95 62.21 0.89 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.631 0.772 . . . . 0.0 109.781 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 179.89 -146.44 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.512 . . -60.9 174.25 1.85 Allowed 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 121.843 1.696 . . . . 0.0 109.472 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.51 -75.0 0.37 Allowed Glycine 0 C--N 1.339 0.705 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 171.7 -177.27 0.05 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.845 ' O ' ' N ' ' A' ' 70' ' ' ALA . . . 94.94 47.71 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 125.201 1.4 . . . . 0.0 109.563 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 51.19 -59.8 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.682 0.614 . . . . 0.0 109.655 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.845 ' N ' ' O ' ' A' ' 68' ' ' THR . . . 171.87 64.71 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -150.9 59.47 0.92 Allowed 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.972 ' HB1' ' O ' ' A' ' 62' ' ' THR . . . -59.79 120.29 9.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 177.014 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' CB ' ' A' ' 125' ' ' TYR . . . 171.5 -144.13 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.125 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.413 ' H ' ' CB ' ' A' ' 125' ' ' TYR . . . 64.89 178.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.317 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.509 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . 174.05 144.32 0.05 OUTLIER 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 179.567 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 75' ' ' TRP . . . 91.68 142.66 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.193 0.997 . . . . 0.0 108.601 -178.477 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -50.56 161.11 0.35 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -177.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.52 -23.26 0.92 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.701 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.17 -54.36 30.8 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.385 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.653 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.53 -42.92 88.85 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.14 -50.55 70.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.03 -37.65 54.33 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.075 -1.61 . . . . 0.0 109.075 178.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.56 -64.28 0.88 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.28 -35.6 5.44 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.565 0.541 . . . . 0.0 112.1 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.78 -68.19 1.82 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 107.879 -2.089 . . . . 0.0 107.879 177.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -47.1 -47.09 23.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.631 -0.785 . . . . 0.0 109.99 177.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.44 66.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.21 0.319 . . . . 0.0 110.921 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.41 -57.39 9.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.167 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.16 -54.85 42.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -39.55 -61.12 0.85 Allowed 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.832 1.333 . . . . 0.0 112.838 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -66.71 -22.79 66.06 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 111.963 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.51 -35.61 46.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.4 -35.45 47.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -68.23 -36.4 79.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -61.45 -46.73 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.626 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -64.16 -30.64 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -60.37 -53.05 62.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HB3' ' CA ' ' A' ' 107' ' ' PHE . . . -59.7 -33.3 71.42 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -55.68 -50.06 71.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.82 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.05 -46.42 71.16 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . . . -54.63 -24.81 23.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.454 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.27 -69.63 0.22 Allowed Glycine 0 C--N 1.339 0.734 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.511 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -36.14 106.15 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.063 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.16 -0.42 86.0 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 177.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.65 -44.83 18.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.28 -29.83 38.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.605 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.61 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . . . -73.48 -35.0 65.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.72 30.09 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.08 -42.45 56.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -67.87 -47.72 68.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.08 -22.77 66.43 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 122.405 0.282 . . . . 0.0 110.641 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.81 -28.6 44.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.54 -47.38 79.03 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -66.06 -31.0 71.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.124 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 119' ' ' LYS . . . -73.92 -35.0 55.0 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.285 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.82 -29.16 65.64 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.18 -56.17 9.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.428 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.06 -50.41 64.22 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 115' ' ' GLY . . . -53.56 -63.46 1.14 Allowed 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.484 0.314 . . . . 0.0 111.048 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.77 45.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.45 -51.55 66.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.56 -54.51 7.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.578 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -52.83 -49.33 65.92 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.45 0.3 . . . . 0.0 111.496 -178.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -67.42 -39.44 85.47 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.811 ' CB ' ' HB1' ' A' ' 73' ' ' ALA . . . -55.62 -60.15 3.84 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.324 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.497 ' CB ' ' HB2' ' A' ' 73' ' ' ALA . . . -171.86 -69.36 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 55.3 67.93 0.94 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.86 60.21 0.25 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.777 179.924 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -75.48 177.54 6.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 179.31 61.62 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -77.95 -61.04 2.13 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.37 -37.33 44.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.388 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.429 ' CB ' ' H ' ' A' ' 55' ' ' PHE . . . -61.79 -45.5 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.736 -179.316 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.45 -48.25 56.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.57 -48.18 57.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.66 0.6 . . . . 0.0 111.168 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.592 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' CB ' ' CB ' ' A' ' 53' ' ' PRO . . . -59.7 -33.12 71.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.698 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.23 -38.33 86.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.064 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.41 -43.5 97.33 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.101 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.95 -27.24 66.63 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.04 -31.08 55.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.3 -39.28 71.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -61.66 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.41 -32.83 67.25 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.22 -77.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 108.489 -1.845 . . . . 0.0 108.489 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.9 -42.76 2.28 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.639 1.114 . . . . 0.0 115.228 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.76 -51.63 68.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.678 1.739 . . . . 0.0 108.287 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.32 -49.66 69.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.199 0.6 . . . . 0.0 112.196 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.89 -56.21 23.86 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -17.63 36.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.426 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.646 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.58 -47.03 14.76 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.535 -179.398 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.51 -30.16 62.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.323 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.43 -48.74 6.6 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 108.047 -2.021 . . . . 0.0 108.047 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -63.57 -34.13 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.125 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -62.06 -42.08 98.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.88 -68.66 0.52 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.03 67.62 10.27 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -47.92 138.53 8.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.693 0.62 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -150.74 -12.56 0.23 Allowed 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.734 0.646 . . . . 0.0 110.968 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 77.41 -46.0 0.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.968 0.507 . . . . 0.0 110.701 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -65.34 -47.95 74.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.471 0.177 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.06 79.21 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.58 -49.87 66.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.35 -45.98 62.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.235 0.334 . . . . 0.0 111.015 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.38 -28.54 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.12 -45.74 66.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 1.019 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -55.23 -42.13 73.01 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.519 178.364 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.98 -51.46 69.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.18 -37.19 82.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.38 -66.69 0.34 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.982 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -45.05 -43.35 9.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.874 0.87 . . . . 0.0 113.067 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.14 -38.44 76.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -72.67 -41.32 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.151 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.37 -45.89 76.51 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.175 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.7 -94.45 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.188 -0.434 . . . . 0.0 110.144 -178.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.07 153.22 0.02 OUTLIER 'General case' 0 C--N 1.34 0.179 0 O-C-N 124.435 1.084 . . . . 0.0 112.676 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -66.1 138.24 57.6 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.913 -176.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -69.53 -53.81 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 43.99 -153.49 0.01 OUTLIER Pre-proline 0 N--CA 1.452 -0.342 0 C-N-CA 123.812 0.845 . . . . 0.0 112.299 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' CB ' ' CB ' ' A' ' 10' ' ' ARG 2.509 . . -173.31 -123.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 122.645 2.23 . . . . 0.0 109.213 179.809 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -85.7 133.41 34.02 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.067 0.547 . . . . 0.0 111.275 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.429 ' H ' ' CB ' ' A' ' 6' ' ' VAL . . . 70.74 172.89 0.1 OUTLIER Pre-proline 0 N--CA 1.453 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.28 179.086 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.517 . . -55.95 -43.14 59.73 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 N-CA-C 106.926 -1.99 . . . . 0.0 106.926 178.362 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.61 -177.78 4.99 Favored 'General case' 0 N--CA 1.444 -0.737 1 N-CA-C 98.953 -4.462 . . . . 0.0 98.953 177.052 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.54 172.93 5.11 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 121.931 2.15 . . . . 0.0 110.385 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 170.04 -139.34 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -54.43 -42.25 70.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 73.53 -56.21 0.66 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.17 0.294 . . . . 0.0 110.619 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -166.75 107.29 0.64 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -155.2 170.34 22.06 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.401 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -60.01 176.02 0.36 Allowed Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.587 0.232 . . . . 0.0 110.575 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.515 . . 176.23 146.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.458 2.105 . . . . 0.0 109.188 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.27 66.61 2.08 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.354 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 56.2 -165.75 0.13 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -44.45 165.31 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.023 0.929 . . . . 0.0 112.926 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 77.51 51.63 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.275 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 171.6 -81.85 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . . . 52.19 39.02 26.02 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.412 179.477 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.53 96.15 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 74' ' ' ILE . . . -44.78 -63.53 0.89 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.436 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . 152.69 -154.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.268 0 O-C-N 124.574 1.171 . . . . 0.0 110.557 -176.679 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -141.27 -136.33 0.11 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.479 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . . . -58.77 -63.5 1.27 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.82 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -169.97 164.51 9.56 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.08 -35.71 3.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.961 0.788 . . . . 0.0 111.591 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.64 -56.34 11.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.606 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.618 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.62 -47.23 73.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.92 -48.03 76.43 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.38 -39.61 65.85 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.58 -66.33 0.41 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 119.311 -0.376 . . . . 0.0 110.118 179.127 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.19 -35.75 3.43 Favored 'General case' 0 C--N 1.339 0.14 0 O-C-N 124.059 0.849 . . . . 0.0 110.74 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.06 -69.39 1.22 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 177.487 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.5 -45.78 37.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.106 0.533 . . . . 0.0 110.981 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -52.57 49.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.82 -38.61 70.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.12 -42.81 99.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.685 0.616 . . . . 0.0 110.21 177.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.36 -43.0 54.1 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.201 178.413 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.508 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.21 -36.39 63.96 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 114.35 -1.296 . . . . 0.0 109.675 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.11 -64.86 3.79 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 114.002 -1.453 . . . . 0.0 110.062 179.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.11 93.12 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -57.58 -38.96 75.71 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.216 0.508 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.49 -42.34 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.554 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.63 -48.47 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.722 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.42 80.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.562 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -60.39 -37.26 80.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 1.019 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -53.15 -50.1 65.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.782 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.14 162.44 1.39 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.62 58.28 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.916 -178.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -101.32 -100.19 2.43 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.704 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -154.14 127.78 8.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.59 -15.38 61.69 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -30.27 35.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 178.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.889 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.33 -34.41 65.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.443 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -80.26 -25.85 39.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.15 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.66 -47.1 8.14 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.43 64.51 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.889 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.65 -54.15 40.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.959 178.564 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.78 -26.48 68.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 122.7 0.4 . . . . 0.0 111.637 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.61 -32.29 60.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 178.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.89 -41.14 90.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.508 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.01 -28.43 62.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.745 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.46 -52.95 45.44 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -78.64 -19.92 72.45 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.77 -57.15 5.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.98 -48.54 78.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.45 -40.91 79.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -54.7 -47.17 74.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.39 -50.61 69.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.41 -35.65 78.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -69.94 -26.66 64.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.85 -60.36 2.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.43 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . -75.69 153.21 37.27 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.431 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . 54.1 26.74 6.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -55.54 164.61 0.99 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 174.89 -177.97 0.1 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.019 -1.467 . . . . 0.0 109.767 179.988 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 177.0 -60.49 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -58.78 -52.52 65.37 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -57.08 -46.01 82.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.78 -50.47 42.84 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.24 -34.52 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' CB ' ' CB ' ' A' ' 68' ' ' THR . . . -73.73 -52.1 14.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.11 -42.42 63.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.468 0.48 . . . . 0.0 110.35 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.53 92.91 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.97 -27.53 66.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.72 -44.9 65.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.15 -24.07 57.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.97 -38.55 32.0 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.297 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.34 -23.92 62.9 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.6 -68.05 0.51 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.56 -31.36 66.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.61 64.94 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.53 -40.4 97.61 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -52.6 64.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.604 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.11 -50.59 36.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.242 0.617 . . . . 0.0 112.521 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.89 -62.49 1.47 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.466 0.306 . . . . 0.0 111.471 -177.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.45 -33.85 46.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 123.619 0.574 . . . . 0.0 109.72 -179.705 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.43 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -73.59 -42.37 61.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.792 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.99 -45.12 64.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.222 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.63 -50.98 7.53 Favored Glycine 0 C--N 1.335 0.485 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -177.575 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.83 -49.21 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.01 71.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -28.89 61.53 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.49 -116.41 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -85.94 -169.75 2.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.717 0.407 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -120.04 168.59 11.02 Favored 'General case' 0 C--N 1.339 0.145 0 O-C-N 124.595 1.184 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 81.93 -65.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.04 0.837 . . . . 0.0 110.436 179.385 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -58.2 -42.04 85.28 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -56.63 18.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.084 -179.225 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.15 33.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.407 0.442 . . . . 0.0 110.464 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.61 -58.73 6.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -53.54 -44.66 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.105 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.59 -41.23 93.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.968 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -50.0 -48.81 52.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 123.293 0.371 . . . . 0.0 110.74 178.737 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.85 58.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -67.12 -54.35 22.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.551 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -52.18 -52.05 54.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.275 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -47.91 -42.84 28.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.178 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.47 -42.06 70.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.429 0.633 . . . . 0.0 109.422 178.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.69 -40.1 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.986 178.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.743 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -80.16 167.12 20.75 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 175.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.31 5.89 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 118.072 2.619 . . . . 0.0 118.072 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.743 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . -67.82 -40.06 83.86 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 176.19 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -134.02 -36.13 0.93 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.259 1.024 . . . . 0.0 110.77 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.822 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -53.87 -39.07 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.633 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 39.22 -58.31 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.229 0 O-C-N 124.53 1.144 . . . . 0.0 113.22 178.354 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.822 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.499 . . -174.14 86.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 121.702 1.601 . . . . 0.0 111.465 -178.926 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -72.88 -26.39 61.42 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CB ' ' CB ' ' A' ' 61' ' ' SER . . . -144.81 -174.34 0.4 Allowed Pre-proline 0 C--N 1.34 0.162 0 O-C-N 123.714 0.634 . . . . 0.0 110.283 179.24 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -50.14 -46.71 27.11 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.207 2.605 . . . . 0.0 111.521 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -69.71 -142.31 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.59 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.05 86.03 0.38 Allowed Glycine 0 C--N 1.34 0.775 0 N-CA-C 107.746 -2.142 . . . . 0.0 107.746 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.431 ' H ' ' CB ' ' A' ' 53' ' ' PRO . . . 87.81 31.11 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.325 1.05 . . . . 0.0 109.18 -179.123 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.638 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 166.22 -173.02 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.427 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -173.83 -165.9 0.27 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.542 0.21 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -154.51 90.44 1.33 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -171.98 -30.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.137 -179.408 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -83.31 82.7 0.03 OUTLIER Pre-proline 0 N--CA 1.45 -0.437 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.612 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.509 . . -54.67 -25.52 42.23 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.031 1.821 . . . . 0.0 109.532 179.505 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -145.68 79.88 0.23 Allowed Glycine 0 C--N 1.337 0.623 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 179.347 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -51.44 -65.68 0.52 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.702 0.401 . . . . 0.0 110.993 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.43 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . 173.22 -56.26 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -159.2 39.01 0.21 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 74' ' ' ILE . . . -57.84 -16.34 11.35 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.443 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 71.85 136.23 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' HB2' ' CA ' ' A' ' 126' ' ' ARG . . . 64.33 21.59 12.55 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.667 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.665 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . 52.36 55.75 8.69 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -178.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.474 ' CB ' ' HB1' ' A' ' 70' ' ' ALA . . . -62.37 26.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.499 -177.733 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.665 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -101.79 -12.48 18.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.639 0.776 . . . . 0.0 109.905 178.653 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.3 131.21 56.03 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 123.96 0.904 . . . . 0.0 109.422 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 88.84 44.07 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.168 0 O-C-N 124.376 1.047 . . . . 0.0 109.172 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.35 -33.45 5.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.234 0.959 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.16 -58.68 4.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -53.96 -48.07 70.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.49 -47.61 75.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.591 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.6 -37.09 74.07 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 178.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -62.25 1.78 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -52.2 -39.27 59.92 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -63.31 4.21 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 107.068 -2.413 . . . . 0.0 107.068 178.191 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.68 -40.75 54.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.568 -0.816 . . . . 0.0 109.422 176.521 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -53.68 -52.99 58.24 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 123.292 0.37 . . . . 0.0 111.03 -179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -55.48 -40.63 71.91 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.191 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.77 -41.09 85.78 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.04 -38.66 52.86 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.761 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.99 -35.57 66.89 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.348 -1.297 . . . . 0.0 109.59 177.315 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.88 -69.32 1.24 Allowed Glycine 0 CA--C 1.527 0.791 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.234 179.159 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.74 -36.25 93.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.115 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -52.96 -50.42 64.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.108 0.454 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -61.5 -38.2 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.587 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -53.9 -51.56 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 101' ' ' ALA . . . -56.34 -45.56 80.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.39 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.52 -42.12 67.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.781 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.968 ' HB2' ' CB ' ' A' ' 40' ' ' ALA . . . -52.93 -53.72 45.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.638 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.67 -45.27 30.36 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . -58.0 -42.31 84.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.715 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 72.03 -159.19 53.67 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 71.03 126.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.422 0.289 . . . . 0.0 110.767 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.37 -14.42 81.96 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -54.58 5.63 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.99 67.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.13 -67.81 0.41 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.87 -38.66 16.8 Favored Glycine 0 C--N 1.338 0.643 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.81 87.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.59 43.2 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.983 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.43 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -60.35 -21.45 62.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.091 0.556 . . . . 0.0 112.436 -178.458 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.1 -37.25 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -55.42 -42.43 74.14 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.761 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.19 -29.78 63.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 178.59 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.29 -46.65 62.91 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.96 -25.78 57.17 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.31 -54.57 44.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.39 -42.24 62.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.894 -179.594 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -62.64 -60.44 3.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.057 0.143 . . . . 0.0 110.885 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.82 73.96 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -52.52 -43.22 64.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.335 0.397 . . . . 0.0 110.435 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.72 -70.67 0.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.464 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.57 -26.74 22.75 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.357 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -58.44 -51.36 70.18 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.402 ' C ' ' HB1' ' A' ' 72' ' ' ALA . . . -55.58 -56.42 20.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.449 ' CA ' ' HB2' ' A' ' 72' ' ' ALA . . . -78.5 37.73 0.29 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -63.36 178.99 0.48 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -163.28 179.07 7.65 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 116.956 -1.497 . . . . 0.0 109.748 179.97 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -162.49 51.69 0.19 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -55.75 -40.76 72.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 70.97 160.65 0.22 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.159 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.51 -39.57 37.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.513 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.81 -43.89 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.435 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -69.75 -52.28 26.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.64 -47.27 50.0 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 123.724 0.64 . . . . 0.0 111.246 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.4 -44.07 96.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.465 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.95 -30.51 67.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.086 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.81 -37.77 88.61 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.11 -44.36 80.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.296 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.05 -29.37 67.25 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.12 -45.76 59.28 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -60.2 -34.09 73.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.07 -66.56 0.52 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.95 -24.7 76.86 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.35 -39.35 31.26 Favored Glycine 0 C--N 1.337 0.633 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.09 -51.17 71.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.157 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.55 -50.72 59.51 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.243 0.617 . . . . 0.0 112.445 179.439 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -61.56 -58.34 8.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.807 0.337 . . . . 0.0 110.598 -178.554 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -19.97 18.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.771 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.723 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.4 -48.04 13.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.996 -179.161 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.23 -31.92 69.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.461 -178.388 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -51.71 4.9 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.06 -31.25 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.723 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -69.44 -43.36 73.5 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.237 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.13 -26.25 39.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.252 0.221 . . . . 0.0 111.039 -178.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 -118.14 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . -155.27 -90.47 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . 43.08 -55.77 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 178.145 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.832 ' N ' ' O ' ' A' ' 31' ' ' PHE . . . 64.99 -46.57 0.35 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 -177.467 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -66.93 -42.8 84.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 177.303 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . . . -62.23 -43.98 97.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.2 -43.83 71.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.289 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.01 -40.06 72.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.519 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.594 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -64.03 -34.87 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.799 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.4 -42.92 92.09 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.041 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.5 -41.21 63.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 124.347 1.03 . . . . 0.0 108.311 177.346 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -54.9 -48.6 72.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.782 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.85 -38.58 86.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.44 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -52.25 -57.02 10.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.43 -42.92 7.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.311 1.007 . . . . 0.0 109.915 175.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -59.27 -48.2 82.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.12 -0.362 . . . . 0.0 110.654 178.138 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -58.41 -47.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.95 69.01 1.86 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 102.468 -3.16 . . . . 0.0 102.468 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.678 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -83.86 125.43 31.97 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 -175.323 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -65.27 61.35 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 121.405 1.911 . . . . 0.0 107.378 177.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.678 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -165.44 -22.84 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -178.393 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -57.0 119.77 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 119.351 0.978 . . . . 0.0 109.802 -178.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.42 -42.67 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.541 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -74.23 -100.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.157 1.905 . . . . 0.0 109.5 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . 62.67 74.59 0.43 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.449 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . 97.58 -46.77 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.22 0 C-N-CA 125.092 1.357 . . . . 0.0 112.24 177.245 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.516 . . -56.46 149.4 57.19 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 N-CA-C 107.662 -1.707 . . . . 0.0 107.662 178.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.59 31.08 16.52 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.29 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.06 -167.48 36.11 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.42 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -49.37 91.25 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.245 0.618 . . . . 0.0 111.405 -179.869 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.814 ' O ' ' N ' ' A' ' 62' ' ' THR . . . -158.8 165.82 33.37 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.108 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -56.79 47.96 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.814 ' N ' ' O ' ' A' ' 60' ' ' SER . . . -163.23 -11.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.463 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.412 ' H ' ' H ' ' A' ' 62' ' ' THR . . . -55.87 -48.17 76.04 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 -179.681 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -159.22 -81.89 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.452 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 175.34 4.09 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 121.737 1.624 . . . . 0.0 111.23 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -152.13 -25.03 0.05 OUTLIER Glycine 0 C--N 1.339 0.727 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -62.12 -175.52 0.07 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 117.219 0.509 . . . . 0.0 110.362 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 172.5 168.94 0.12 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 174.01 34.5 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 173.7 -71.18 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 175.96 98.93 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.38 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.89 75.84 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.285 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.51 81.29 4.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 124.214 0.946 . . . . 0.0 110.316 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -96.55 -25.21 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.022 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.434 ' O ' ' CB ' ' A' ' 76' ' ' ALA . . . 84.38 91.9 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.11 0.964 . . . . 0.0 110.801 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.852 ' HB1' ' CB ' ' A' ' 80' ' ' ASP . . . 137.49 107.83 0.0 OUTLIER 'General case' 0 C--N 1.342 0.249 0 O-C-N 125.612 1.82 . . . . 0.0 106.994 -179.106 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -58.15 -177.93 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.593 0.357 . . . . 0.0 110.967 -179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.21 -47.77 17.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.987 0.515 . . . . 0.0 112.092 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.39 -55.43 27.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.852 ' CB ' ' HB1' ' A' ' 76' ' ' ALA . . . -52.95 -31.62 41.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -59.23 -58.7 7.5 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.644 178.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.38 -6.84 4.84 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -80.47 -74.1 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 178.26 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.74 -37.33 8.34 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 123.989 0.806 . . . . 0.0 110.409 178.396 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.32 -63.5 5.01 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.3 -48.2 18.24 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.597 0.822 . . . . 0.0 111.0 176.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.61 24.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.403 0.281 . . . . 0.0 111.513 -178.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.44 -44.8 72.81 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.11 -42.19 76.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.82 -44.53 59.2 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 123.862 0.726 . . . . 0.0 109.117 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -70.8 -36.65 73.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.461 178.286 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.57 -66.93 2.5 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.37 98.75 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.487 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.43 -38.8 66.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.257 0.528 . . . . 0.0 110.257 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.08 -41.82 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.07 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.55 -58.56 8.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.65 63.06 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.731 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.67 -52.45 65.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.14 -40.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 123.363 0.415 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.31 -103.7 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.23 36.36 0.02 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.546 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -102.94 90.37 3.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.808 0.843 . . . . 0.0 109.826 -179.325 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.65 -24.95 57.83 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.6 36.65 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.609 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -74.68 -32.62 62.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.12 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.06 -28.04 39.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.5 -45.63 10.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.05 72.97 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.33 -53.34 54.26 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.304 178.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.73 -30.45 67.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 122.499 0.32 . . . . 0.0 111.201 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.88 -32.14 63.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.53 -46.43 88.89 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.62 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.1 -26.58 65.89 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.507 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.86 15.04 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.43 -25.55 74.75 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.091 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.05 -63.05 1.26 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.55 -47.21 84.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -61.57 2.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.849 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.18 -41.82 28.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.626 0.579 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.58 -50.81 69.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.303 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -69.65 -58.49 3.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.893 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -51.92 -29.32 19.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 123.249 0.343 . . . . 0.0 110.41 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -68.18 -55.48 12.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -76.44 -63.71 1.27 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.419 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 122' ' ' HIS . . . 174.8 162.2 0.22 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -78.48 -62.13 1.79 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -170.21 58.82 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.975 -1.488 . . . . 0.0 109.801 179.934 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 177.35 -61.57 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 75.83 156.57 0.18 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . -78.79 26.22 0.25 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.456 -179.208 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.23 -60.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.575 ' CB ' ' O ' ' A' ' 54' ' ' LEU . . . -59.84 -40.51 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.999 -179.191 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.94 -50.61 32.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -52.27 -48.76 65.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 123.383 0.427 . . . . 0.0 110.991 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.95 -39.19 91.26 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 178.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.71 -29.07 67.86 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.67 -39.94 88.36 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.69 -46.23 89.09 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.937 179.342 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.06 -28.9 66.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.44 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.31 -32.52 64.65 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.19 -35.85 78.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -64.86 -65.05 0.72 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.76 -34.21 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.43 -71.26 0.77 Allowed Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 179.043 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.67 -42.87 2.14 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 124.367 0.984 . . . . 0.0 114.421 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.0 -53.65 55.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.041 1.421 . . . . 0.0 108.043 178.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -50.4 -51.55 45.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.479 0.712 . . . . 0.0 112.761 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.61 -56.75 13.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.865 0.466 . . . . 0.0 111.697 -178.135 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.71 42.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.434 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.08 -40.89 26.68 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -58.9 -62.1 2.13 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.85 -42.36 85.79 Favored Glycine 0 C--N 1.337 0.604 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.78 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . -56.21 -36.33 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 118.116 0.958 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.02 26.13 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.69 -52.89 9.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 117.777 0.262 . . . . 0.0 111.484 -177.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.29 -119.2 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.78 ' O ' ' O ' ' A' ' 27' ' ' VAL . . . -88.7 -164.07 1.07 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -150.19 74.98 1.22 Allowed 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.902 0.752 . . . . 0.0 109.921 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.58 -88.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.17 -52.04 67.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.405 0.282 . . . . 0.0 111.756 -179.002 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.93 -49.21 74.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 122.05 0.14 . . . . 0.0 110.768 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -52.44 39.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.353 0.408 . . . . 0.0 110.555 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.08 -49.56 60.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.357 0.411 . . . . 0.0 110.632 179.325 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.89 -34.51 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.608 0.242 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.98 -42.77 94.26 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . . . -52.12 -45.66 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 123.937 0.773 . . . . 0.0 109.245 177.784 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.48 -54.53 39.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.046 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -32.94 72.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.45 -60.34 3.55 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 178.561 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.97 -44.82 2.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.727 1.267 . . . . 0.0 110.122 176.534 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -55.06 -46.34 75.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.788 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.23 -38.37 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.41 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 174.241 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.88 -135.99 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -172.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.82 -149.58 0.08 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 103.244 -2.873 . . . . 0.0 103.244 171.216 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -84.48 108.49 17.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 175.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -55.53 -37.45 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.855 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.0 70.3 0.0 OUTLIER Pre-proline 0 N--CA 1.447 -0.578 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.425 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.572 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.514 . . -172.81 19.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.208 1.939 . . . . 0.0 110.63 -179.906 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.575 ' O ' ' CB ' ' A' ' 6' ' ' VAL . . . -79.19 -20.39 48.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.874 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -138.76 -176.68 0.6 Allowed Pre-proline 0 C--N 1.34 0.191 0 O-C-N 123.83 0.706 . . . . 0.0 109.69 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.505 . . -51.76 -40.4 65.57 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.826 2.351 . . . . 0.0 109.793 -179.795 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.98 31.41 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 178.4 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.745 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 100.55 19.13 19.0 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 -177.507 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 53.25 -63.77 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.739 0.416 . . . . 0.0 110.159 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 73.46 145.41 0.08 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.921 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.82 ' O ' ' N ' ' A' ' 63' ' ' ASP . . . -155.22 80.12 1.05 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.37 0.419 . . . . 0.0 109.967 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -55.18 43.92 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.135 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.82 ' N ' ' O ' ' A' ' 61' ' ' SER . . . 71.06 40.14 0.92 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.507 179.522 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -121.34 -178.92 0.65 Allowed Pre-proline 0 N--CA 1.455 -0.191 0 O-C-N 124.238 0.961 . . . . 0.0 108.675 179.299 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 63.52 -153.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 121.662 1.575 . . . . 0.0 109.579 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.02 42.74 0.04 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -79.56 179.21 7.61 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -128.68 127.75 42.76 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 124.269 0.98 . . . . 0.0 109.607 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.69 ' CB ' ' HB2' ' A' ' 72' ' ' ALA . . . 174.98 51.14 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 55.15 65.09 1.58 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.875 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 55.7 47.19 21.08 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.69 ' HB2' ' CB ' ' A' ' 69' ' ' GLU . . . -58.32 -34.81 71.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.312 -179.724 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.771 ' HB1' ' CB ' ' A' ' 61' ' ' SER . . . -79.54 -12.17 59.87 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.896 -0.573 . . . . 0.0 110.416 179.755 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.422 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . 6.73 50.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.333 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.517 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -58.57 155.78 11.79 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 178.092 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 165.34 -50.91 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -178.494 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 157.34 102.19 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.67 -39.84 5.42 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 123.776 0.672 . . . . 0.0 111.655 -179.606 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.67 -47.96 82.97 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.664 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -59.36 -45.36 91.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.469 179.261 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.35 -52.59 64.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.22 -38.07 32.31 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 178.595 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.08 -65.81 0.51 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.97 -35.47 0.37 Allowed 'General case' 0 C--N 1.343 0.302 0 O-C-N 124.696 1.248 . . . . 0.0 110.766 179.297 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.61 4.25 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 105.837 -2.905 . . . . 0.0 105.837 176.496 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -47.82 -51.9 20.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.407 -0.897 . . . . 0.0 111.111 177.423 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.96 19.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.24 -45.59 72.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.66 -44.13 90.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.36 0.412 . . . . 0.0 110.819 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 94' ' ' ALA . . . -50.62 -48.07 58.09 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.285 0.564 . . . . 0.0 110.311 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -73.74 -34.18 64.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.048 178.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.6 -67.76 2.03 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.641 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.92 82.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -67.91 -34.74 77.19 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.507 0.653 . . . . 0.0 110.146 -179.449 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.711 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -68.15 -41.95 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.866 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -68.19 -38.19 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.252 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.33 -51.61 65.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 1.05 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -64.08 -30.57 71.63 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.219 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -56.47 -48.63 76.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.656 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.6 1.63 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -179.001 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.79 32.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.826 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.43 -147.34 2.2 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.581 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.69 -179.68 5.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.838 0.855 . . . . 0.0 110.112 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.2 -17.79 61.93 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.214 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.95 -30.76 35.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 1.05 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -73.34 -38.95 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.319 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.553 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -78.9 -27.75 43.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.691 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.73 -50.4 6.52 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -38.02 62.75 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.872 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.47 -49.65 72.79 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.752 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -61.58 -29.42 70.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 122.469 0.308 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.14 -27.93 61.95 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.73 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.41 -44.94 93.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 178.082 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.93 -27.57 66.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.004 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.08 -50.97 54.84 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 108.59 -1.804 . . . . 0.0 108.59 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -55.53 -66.57 2.74 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.387 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -48.61 -27.92 3.13 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.003 0.401 . . . . 0.0 111.97 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -75.19 -74.39 0.21 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.445 0.164 . . . . 0.0 111.201 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -37.83 65.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.524 -179.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.0 70.33 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -59.04 -41.2 87.25 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.23 -65.28 0.7 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.28 -17.53 1.83 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.549 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -73.77 -60.54 2.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.422 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -75.02 -51.57 13.26 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.783 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -64.0 -178.92 0.36 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 174.97 68.76 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.62 -60.14 0.05 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.021 -1.466 . . . . 0.0 109.778 179.979 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -75.79 -62.56 1.55 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 179.14 77.97 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 70.89 73.38 0.19 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.92 -34.22 44.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.121 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.46 -47.92 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.584 -179.395 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.03 -51.4 32.49 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.17 -44.89 52.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 123.775 0.672 . . . . 0.0 110.89 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.325 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.18 -30.46 68.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.044 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.95 -38.0 89.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.77 -43.65 75.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.309 179.676 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.06 -26.18 65.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.16 -40.36 45.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.16 -27.97 66.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.24 -67.32 0.46 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.29 -29.79 69.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.37 -25.92 73.19 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -39.89 32.75 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.83 -51.08 71.05 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.46 -46.05 76.85 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.446 0.698 . . . . 0.0 112.722 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.53 -59.86 4.35 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.939 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.12 -21.37 59.18 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.532 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' MET . . . . . 1.141 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.3 -42.62 22.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.468 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.42 -34.28 58.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.518 -178.392 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -53.84 3.97 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.651 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -66.44 -44.29 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.532 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.141 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -59.52 -39.9 85.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.216 179.459 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.14 -17.4 52.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.275 0.23 . . . . 0.0 110.433 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.45 -139.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 177.81 99.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -177.97 -90.23 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 165.52 -36.6 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.209 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.02 -48.09 81.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -178.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.651 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -58.94 -53.64 56.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.772 -0.156 . . . . 0.0 110.944 -178.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.49 -51.97 24.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 123.497 0.498 . . . . 0.0 110.99 -179.68 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.63 -46.27 67.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.183 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -56.44 -38.58 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.5 -41.3 98.73 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.92 -46.44 64.63 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 123.933 0.771 . . . . 0.0 109.628 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.99 -52.06 64.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.77 -35.17 74.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.346 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.03 -59.12 5.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.57 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.89 -44.91 1.74 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 124.858 1.348 . . . . 0.0 110.069 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.71 -44.1 73.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -66.01 -44.52 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.17 66.06 2.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 175.703 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.6 -140.13 0.06 Allowed 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -172.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.95 -148.58 0.08 Allowed 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 102.769 -3.048 . . . . 0.0 102.769 170.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -81.08 104.96 11.92 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 174.371 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.542 ' C ' ' N ' ' A' ' 53' ' ' PRO . . . -72.81 -39.36 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 118.099 0.409 . . . . 0.0 112.064 -177.275 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 69.41 -32.54 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -177.771 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.542 ' N ' ' C ' ' A' ' 51' ' ' VAL . . . 67.76 55.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 123.221 2.614 . . . . 0.0 112.615 177.552 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 114.25 163.08 0.0 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.987 1.715 . . . . 0.0 110.27 177.748 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -108.31 -99.99 0.0 OUTLIER Pre-proline 0 N--CA 1.455 -0.192 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.516 . . -173.61 -87.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.295 1.997 . . . . 0.0 109.26 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.34 85.24 0.1 Allowed 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.37 78.56 0.03 OUTLIER Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.111 -1.195 . . . . 0.0 110.111 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 70.23 51.96 0.37 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -167.1 171.96 10.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 59.74 89.66 0.06 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.402 ' O ' ' HB1' ' A' ' 72' ' ' ALA . . . 69.24 -159.82 0.18 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.146 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -153.88 119.89 5.35 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.694 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -55.85 -59.24 12.12 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -168.33 -47.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 121.921 1.748 . . . . 0.0 109.627 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.07 32.09 0.8 Allowed Glycine 0 C--N 1.337 0.614 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -80.89 167.75 19.53 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.126 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 71.07 156.04 0.15 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -56.25 -53.72 53.83 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 175.38 51.84 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -171.29 51.15 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 62' ' ' THR . . . -53.35 -45.53 69.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.466 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.99 123.35 48.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 105.601 -1.999 . . . . 0.0 105.601 177.045 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -100.19 -15.21 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.785 0.834 . . . . 0.0 109.377 -178.585 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.533 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . 75.54 97.65 0.07 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.167 0.587 . . . . 0.0 110.676 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 162.48 -136.47 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.278 0.986 . . . . 0.0 108.703 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -167.88 164.43 14.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 178.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.26 -41.42 5.9 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 111.916 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.05 -62.4 1.39 Allowed 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.17 -46.33 65.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -178.794 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.82 -50.17 71.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.28 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.11 -38.98 57.08 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.565 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.97 -66.25 0.43 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.14 -35.64 3.28 Favored 'General case' 0 C--N 1.34 0.185 0 O-C-N 123.872 0.732 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.51 -74.64 0.29 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 107.771 -2.132 . . . . 0.0 107.771 177.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.38 -46.1 12.97 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.209 0.594 . . . . 0.0 111.204 178.107 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.84 -46.47 71.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.15 -47.13 72.28 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.278 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.54 -35.38 77.6 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.702 178.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.74 -49.16 66.0 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.571 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.04 -35.93 64.36 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.193 178.373 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.17 -64.66 3.98 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.454 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -36.06 79.15 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 123.266 0.46 . . . . 0.0 111.989 -178.376 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.32 71.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 117.515 0.657 . . . . 0.0 109.913 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.599 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -72.09 -46.21 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 122.429 0.292 . . . . 0.0 110.911 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -71.66 -36.01 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.55 -57.35 13.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.616 ' HB1' ' CB ' ' A' ' 106' ' ' ALA . . . -73.41 -36.75 66.03 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.035 -179.265 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 95' ' ' VAL . . . -62.47 -54.53 38.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -66.29 -50.47 63.56 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.06 -179.698 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 7.09 0.14 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.23 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.82 107.13 0.73 Allowed Glycine 0 C--N 1.338 0.666 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.631 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . 168.85 71.01 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.557 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.62 -26.17 59.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.348 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.9 35.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.631 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -71.19 -31.68 67.93 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.113 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.47 -66.57 0.53 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -53.62 -40.77 63.72 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.913 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -60.04 2.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.599 -0.354 . . . . 0.0 111.57 -177.65 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.8 67.26 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.897 0.38 . . . . 0.0 110.38 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.38 -21.99 66.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.794 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -75.48 -33.83 60.85 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 178.393 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.33 -42.91 96.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 177.544 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -67.49 -30.15 69.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.678 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.88 -54.54 27.52 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.188 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.04 -20.0 78.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.18 -62.21 1.68 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.207 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.12 -44.97 94.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.51 -59.59 4.48 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . -47.85 -46.01 30.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 123.617 0.573 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.27 -52.93 63.36 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.19 -69.12 0.25 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.414 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -49.37 -23.07 1.31 Allowed 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 123.466 0.479 . . . . 0.0 111.03 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 120' ' ' ALA . . . -68.16 -58.58 4.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -75.19 -54.72 6.64 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.448 -0.205 . . . . 0.0 110.448 -179.621 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 74.5 164.67 0.28 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.835 0.454 . . . . 0.0 110.147 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -54.03 -59.7 4.3 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.239 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 58.94 -169.5 0.13 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.764 -179.988 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.47 62.23 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -161.22 -177.59 6.14 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . -160.29 64.77 0.33 Allowed 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.75 -42.84 57.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.79 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.525 -179.611 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.65 -49.03 51.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.36 -49.57 61.22 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.606 0.567 . . . . 0.0 111.141 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.79 -38.38 85.14 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 179.227 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.57 -33.2 72.35 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.028 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.53 -39.29 93.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.45 -42.14 99.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.914 179.431 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.48 -27.56 69.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.19 -37.41 66.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.49 -38.82 88.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.64 -64.39 0.96 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.49 -31.75 64.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.64 -75.57 0.27 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.307 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.49 -42.14 1.82 Allowed Glycine 0 C--N 1.339 0.727 0 C-N-CA 124.299 0.952 . . . . 0.0 114.663 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -62.22 -54.0 47.17 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.613 1.707 . . . . 0.0 108.935 179.219 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.14 -52.31 27.01 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.508 0.723 . . . . 0.0 112.783 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.27 -52.5 61.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.274 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.33 66.07 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.112 0.482 . . . . 0.0 110.338 -178.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.17 -35.61 36.21 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.87 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.6 -59.08 3.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.2 -39.96 97.57 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.247 -178.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.489 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -65.75 -33.98 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 118.206 1.003 . . . . 0.0 109.097 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.97 63.64 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.664 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.6 -17.19 52.11 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.568 0.347 . . . . 0.0 110.48 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.77 -141.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.51 0.324 . . . . 0.0 111.084 -178.205 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.1 85.01 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.366 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -170.43 -99.69 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.526 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.11 -35.68 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -54.95 -54.61 40.54 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -53.77 -49.41 68.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.298 0.239 . . . . 0.0 111.127 -178.66 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -54.31 21.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.421 0.45 . . . . 0.0 110.776 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.598 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.25 -52.23 46.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 123.28 0.362 . . . . 0.0 111.332 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -61.25 -37.22 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.691 0.282 . . . . 0.0 110.853 -179.441 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.85 -44.52 92.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.904 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -50.12 -47.68 53.88 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 123.966 0.791 . . . . 0.0 109.623 177.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.8 63.17 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.692 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.91 -35.95 81.75 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.82 -60.5 3.28 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.549 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.99 -43.86 1.62 Allowed 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.405 1.066 . . . . 0.0 109.444 175.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.66 -44.22 73.08 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.058 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -55.05 -36.58 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.506 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.64 81.61 4.08 Favored 'General case' 0 CA--C 1.519 -0.238 1 N-CA-C 98.346 -4.687 . . . . 0.0 98.346 172.175 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.34 178.62 8.27 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -166.192 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.34 11.9 4.04 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.98 -1.918 . . . . 0.0 110.977 177.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -177.61 -36.86 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 120.36 1.436 . . . . 0.0 109.584 -177.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.623 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . 48.62 -117.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.356 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 65.6 -54.26 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.456 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -177.522 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.623 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.5 . . 79.06 56.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.677 2.251 . . . . 0.0 112.466 177.853 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 140.6 174.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.276 0 C-N-CA 126.053 1.741 . . . . 0.0 108.02 178.285 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 172.23 57.0 0.02 OUTLIER Pre-proline 0 N--CA 1.452 -0.333 0 O-C-N 122.958 0.161 . . . . 0.0 110.704 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.483 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 172.79 79.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.237 1.958 . . . . 0.0 109.477 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 56' ' ' PRO . . . 69.36 7.22 6.11 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.852 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.68 60.64 3.14 Favored Glycine 0 C--N 1.337 0.625 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 69.0 -176.81 0.21 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 68' ' ' THR . . . -78.78 70.02 5.05 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.425 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -154.69 139.59 17.24 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.35 49.79 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 -179.668 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 69.18 83.13 0.16 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.618 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 72.98 146.07 0.11 Allowed Pre-proline 0 N--CA 1.45 -0.441 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.091 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.513 . . 156.37 179.28 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.793 2.329 . . . . 0.0 108.746 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.72 78.85 0.28 Allowed Glycine 0 C--N 1.339 0.718 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.785 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.629 ' O ' ' N ' ' A' ' 69' ' ' GLU . . . -154.96 166.13 34.54 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.701 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.431 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . 40.21 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.139 0 O-C-N 124.245 0.966 . . . . 0.0 111.895 -179.285 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 67' ' ' GLN . . . 172.66 177.63 0.09 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.77 -62.93 1.32 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.731 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . 51.95 24.23 2.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.358 179.321 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 125' ' ' TYR . . . 79.2 38.02 0.13 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 177.219 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 51.26 67.94 0.87 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 177.221 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -50.73 -76.58 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 O-C-N 124.008 0.818 . . . . 0.0 109.515 178.573 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 48.81 -148.01 0.25 Allowed 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.394 0.434 . . . . 0.0 111.921 178.591 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.73 47.05 0.31 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.035 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -92.07 44.37 1.17 Allowed 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 177.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.55 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -39.83 -50.71 2.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -176.445 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -80.05 -44.06 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.96 1.254 . . . . 0.0 112.448 -176.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -64.73 -64.97 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.71 -46.34 87.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 78' ' ' MET . . . -50.44 -42.15 42.31 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 177.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.84 -64.46 0.82 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.347 178.049 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.58 -36.3 0.38 Allowed 'General case' 0 C--N 1.342 0.273 0 O-C-N 124.858 1.348 . . . . 0.0 110.691 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.69 -73.07 0.51 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 106.561 -2.615 . . . . 0.0 106.561 177.645 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.64 -54.24 4.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.578 0.81 . . . . 0.0 112.272 177.834 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -54.27 31.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.714 0.405 . . . . 0.0 112.032 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -39.4 75.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.4 -41.93 86.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.856 178.073 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.43 -57.3 12.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.32 0.248 . . . . 0.0 111.382 -179.08 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.569 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -65.88 -30.84 71.51 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.127 0.489 . . . . 0.0 109.695 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.06 -63.67 4.98 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.82 -40.82 97.61 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.481 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.77 65.18 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.689 0.744 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -71.58 -42.15 71.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.445 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -64.12 -36.61 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.647 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.5 45.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -74.79 -31.95 61.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.808 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.904 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -65.47 -50.18 66.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.568 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.21 -61.25 1.92 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.094 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 157.35 35.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.413 0.149 . . . . 0.0 110.678 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -50.61 90.22 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.771 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 176.12 35.01 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.517 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.95 -22.71 55.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -68.46 0.37 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -178.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -63.36 -12.7 32.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.513 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . . . -75.61 -35.65 60.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.053 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.12 -43.07 41.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.42 -26.42 63.67 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.563 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.22 -51.11 49.13 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.841 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -68.92 -24.17 64.26 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -67.43 -45.42 76.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.68 -39.08 92.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.047 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.569 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.19 32.47 Favored Glycine 0 C--N 1.336 0.541 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.795 -178.318 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.85 -13.01 75.28 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -74.09 -62.32 1.55 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.2 -47.7 81.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.577 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.641 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -52.91 -51.73 60.24 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.175 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.15 -67.67 0.23 Allowed 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.599 0.562 . . . . 0.0 110.111 179.348 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -41.54 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.889 0.743 . . . . 0.0 112.89 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -51.63 -44.0 62.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.021 0.201 . . . . 0.0 111.267 -179.368 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 119' ' ' LYS . . . -46.3 -62.57 1.29 Allowed 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.188 0.595 . . . . 0.0 112.522 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -74.62 -39.76 61.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.633 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . . . -54.21 -54.49 39.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.299 -179.698 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -55.53 -70.89 0.1 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.746 ' O ' ' N ' ' A' ' 129' ' ' ASP . . . 55.14 66.18 1.3 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.837 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -55.57 60.62 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.746 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.052 -1.451 . . . . 0.0 109.748 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.33 -57.84 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -72.7 -170.82 0.74 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 71.46 75.86 0.18 Allowed 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.87 -45.69 60.46 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.65 -40.64 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.72 -48.58 59.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.677 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.64 -45.01 70.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 123.397 0.436 . . . . 0.0 110.116 179.489 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.16 99.36 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.92 -29.35 68.32 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.132 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.74 -38.69 91.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.62 -46.44 72.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.224 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.09 -27.95 64.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.909 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.91 -41.02 60.5 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.48 -28.53 69.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.843 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.49 -67.7 0.43 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.4 -31.05 67.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -25.44 75.07 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.54 -40.26 39.42 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . 1.026 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.24 -48.55 78.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.616 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -61.31 -39.44 90.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.003 0.521 . . . . 0.0 111.475 178.123 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -68.54 -70.25 0.28 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.315 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -22.32 48.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' MET . . . . . 1.026 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -78.09 -46.3 21.13 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.73 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.77 -24.95 58.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.334 0.254 . . . . 0.0 111.45 -178.378 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -49.47 5.83 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.356 -2.298 . . . . 0.0 107.356 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.64 -31.16 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -69.86 -41.51 74.76 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.523 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.01 -29.0 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.12 -136.04 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.61 79.54 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.2 -159.16 0.86 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -141.42 -27.4 0.68 Allowed 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 123.912 0.758 . . . . 0.0 110.029 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.69 -46.71 89.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.86 79.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.619 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.89 57.92 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.283 0.365 . . . . 0.0 110.98 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -55.33 -47.84 75.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.92 -43.18 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.54 -42.15 98.41 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.47 -53.04 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 123.763 0.664 . . . . 0.0 110.468 178.808 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.98 -44.1 63.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.53 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.76 -46.53 90.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.448 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.82 -63.89 1.0 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.95 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.84 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -49.59 -48.47 48.81 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.37 -52.49 39.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.48 -68.51 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -176.727 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -64.1 -41.3 97.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.07 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . -70.47 -158.22 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.774 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.73 60.84 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 124.964 1.415 . . . . 0.0 112.437 -178.727 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.829 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -154.53 -35.64 0.1 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.646 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -55.24 -58.27 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 122.739 0.415 . . . . 0.0 111.798 -179.826 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.65 54.93 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.498 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.656 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -163.42 16.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 121.78 1.653 . . . . 0.0 110.283 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -68.64 -32.28 72.02 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 121.971 0.108 . . . . 0.0 110.742 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -171.76 68.5 0.44 Allowed Pre-proline 0 N--CA 1.45 -0.432 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 179.665 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.492 . . 77.92 -131.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 122.492 2.128 . . . . 0.0 113.946 176.578 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.25 10.52 39.31 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 124.517 1.136 . . . . 0.0 112.389 -176.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.2 -63.02 0.01 OUTLIER Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.434 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 68.82 59.96 0.36 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -178.255 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 169.45 156.03 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -179.076 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 173.18 -49.52 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 -179.182 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -50.74 121.17 5.5 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 123.326 0.391 . . . . 0.0 111.179 -178.574 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -79.45 -61.51 1.98 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -63.72 150.43 90.82 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.698 ' O ' ' N ' ' A' ' 67' ' ' GLN 2.514 . . -69.12 -80.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.041 1.827 . . . . 0.0 110.375 -179.587 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.69 -73.36 0.0 OUTLIER Glycine 0 C--N 1.337 0.628 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.029 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.698 ' N ' ' O ' ' A' ' 65' ' ' PRO . . . -96.31 -172.34 2.51 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.452 0.701 . . . . 0.0 109.344 179.461 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 49.4 77.72 0.1 Allowed 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.63 0.582 . . . . 0.0 110.633 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -75.78 72.85 2.71 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.504 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.32 74.55 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.975 -0.102 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 73' ' ' ALA . . . 70.9 77.08 0.18 Allowed 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 122.988 0.18 . . . . 0.0 111.036 178.712 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.645 ' O ' ' N ' ' A' ' 74' ' ' ILE . . . -41.97 -16.07 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.698 ' HB2' ' CB ' ' A' ' 125' ' ' TYR . . . -27.69 -18.9 0.0 OUTLIER 'General case' 0 C--N 1.34 0.185 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.645 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -35.94 152.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.355 0 C-N-CA 124.117 0.967 . . . . 0.0 111.953 178.021 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 80.75 -125.25 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 -175.187 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 59.25 -128.57 1.22 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 119.274 -0.393 . . . . 0.0 110.363 178.616 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -110.0 85.66 2.15 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.771 0.829 . . . . 0.0 110.255 -178.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.43 -26.9 0.94 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.902 0.751 . . . . 0.0 110.542 178.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.31 -52.33 28.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.92 -45.72 82.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.81 -50.24 72.95 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.851 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.53 -39.77 38.11 Favored Glycine 0 C--N 1.338 0.68 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.42 -66.4 0.41 Allowed 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.185 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.73 -35.51 0.33 Allowed 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.566 1.166 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.19 -70.4 0.99 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 106.371 -2.691 . . . . 0.0 106.371 176.434 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.5 -52.89 7.53 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 124.381 0.695 . . . . 0.0 111.82 177.595 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.64 67.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.401 0.28 . . . . 0.0 110.947 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.36 -49.61 64.0 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.3 -34.09 73.29 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 122.37 0.268 . . . . 0.0 111.306 178.586 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.02 -53.38 58.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 118.731 0.696 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -73.65 -34.42 64.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.801 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.25 -62.79 5.79 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.054 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.22 -39.13 88.29 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -178.566 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -69.67 -30.16 67.77 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.548 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -65.36 -43.87 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.219 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.563 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . . . -63.03 -32.8 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -59.27 -45.24 91.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.321 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 106' ' ' ALA . . . -64.7 -35.62 81.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.435 ' HB1' ' N ' ' A' ' 37' ' ' LYS . . . -58.19 -53.49 57.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.679 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.32 -50.35 71.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.54 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.39 21.03 73.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.616 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -87.69 89.46 8.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.89 -30.14 65.91 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.431 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -29.32 36.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.437 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.803 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . . . -76.69 -33.57 58.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.81 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -66.16 -63.44 1.08 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.2 -31.94 66.63 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.434 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.42 -55.25 5.88 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.547 0.674 . . . . 0.0 110.869 -177.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.503 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -62.34 -44.41 96.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.63 -26.15 66.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.585 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -71.43 -34.75 70.56 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.34 -44.1 95.84 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.572 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -62.38 -35.16 78.3 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.478 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.42 71.21 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.34 -64.37 4.36 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.482 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -48.67 -53.39 18.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.954 0.377 . . . . 0.0 111.927 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.76 -65.93 0.61 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.908 -0.133 . . . . 0.0 111.12 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.32 -63.97 0.97 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.54 -54.42 7.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.809 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -50.62 -59.38 4.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.399 0.28 . . . . 0.0 111.498 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -57.16 -48.54 78.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.65 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 127' ' ' GLU . . . -58.98 -27.87 65.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.603 -179.489 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -69.47 -53.51 18.84 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.698 ' CB ' ' HB2' ' A' ' 73' ' ' ALA . . . -55.3 -63.56 1.12 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -75.06 -76.85 0.13 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 123' ' ' ASP . . . 63.63 178.4 0.16 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -76.47 -62.22 1.7 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.983 -1.484 . . . . 0.0 109.762 -179.907 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -64.4 -178.65 0.39 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 53.45 55.7 8.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.419 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.42 96.63 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.54 -51.76 32.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.09 -39.4 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.353 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.15 -51.31 32.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.48 -46.97 63.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.637 0.586 . . . . 0.0 110.804 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.51 -41.77 97.8 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.16 -29.79 67.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.81 -38.68 89.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.73 -47.24 75.99 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.149 179.651 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.55 -28.32 65.38 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.63 -40.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -62.9 -35.66 80.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -62.8 -65.08 0.74 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.62 -39.4 70.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.76 73.63 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.79 23.27 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.56 -49.11 78.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.198 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.1 -51.45 57.7 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.352 0.661 . . . . 0.0 112.388 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.57 -60.92 2.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.283 0.233 . . . . 0.0 111.263 -178.441 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.53 -20.13 18.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.34 -45.92 16.97 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.022 -179.609 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.0 -34.45 71.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.328 -178.539 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.68 -49.02 8.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -179.523 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.9 -35.33 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -61.91 -41.1 97.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.003 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.36 -30.84 71.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.63 -143.2 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.05 -64.44 0.12 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.992 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -27.0 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.868 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 172.88 -22.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.904 0.127 . . . . 0.0 110.929 -179.308 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.83 -52.14 61.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.194 0.198 . . . . 0.0 111.003 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.67 72.66 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB2' ' HA2' ' A' ' 104' ' ' GLY . . . -50.2 -51.54 43.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.32 0.388 . . . . 0.0 110.969 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.19 -45.1 68.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.203 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.3 -35.65 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.163 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.51 -44.69 81.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.83 -46.7 64.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.959 0.787 . . . . 0.0 109.555 178.086 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.99 65.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.32 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.99 -35.72 81.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.98 -62.47 1.63 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.529 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.773 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -44.89 -44.02 9.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.063 0.852 . . . . 0.0 111.238 177.76 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -54.73 -46.36 74.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.842 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.53 -41.97 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -71.87 -28.94 63.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.115 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -52.27 -62.05 1.88 Allowed 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.137 0.898 . . . . 0.0 108.61 178.266 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.29 139.11 35.61 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.069 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -125.28 39.04 4.06 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 124.336 1.022 . . . . 0.0 110.272 178.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 63.3 -151.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 101.573 -3.492 . . . . 0.0 101.573 -176.256 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 62.47 31.17 0.1 OUTLIER Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 121.616 2.007 . . . . 0.0 109.089 177.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -163.66 -25.27 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.704 1.603 . . . . 0.0 110.524 -179.347 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -130.53 -19.44 3.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.781 0.832 . . . . 0.0 110.183 -179.624 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -89.56 -174.38 0.45 Allowed Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 122.739 0.416 . . . . 0.0 109.92 -179.141 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.423 ' CB ' ' CB ' ' A' ' 62' ' ' THR 2.512 . . 84.45 -138.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 122.808 2.338 . . . . 0.0 111.503 178.878 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.33 98.2 0.23 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.622 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.96 47.64 1.07 Allowed Glycine 0 C--N 1.34 0.767 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 178.489 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 171.33 -9.51 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 123.68 0.282 . . . . 0.0 110.918 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 175.24 -169.63 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -53.45 117.13 2.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.809 -179.206 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.423 ' CB ' ' CB ' ' A' ' 56' ' ' PRO . . . 172.54 -37.96 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -161.36 -175.01 4.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 54.28 -165.96 0.01 OUTLIER Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.266 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.511 . . 172.19 12.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 121.948 1.765 . . . . 0.0 110.617 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -151.64 -23.54 0.05 OUTLIER Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -67.29 -153.64 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 117.121 0.46 . . . . 0.0 110.295 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 74.55 -162.23 0.08 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -150.69 -61.11 0.19 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -70.12 0.15 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 72' ' ' ALA . . . 69.22 145.71 0.05 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.899 ' HB1' ' CB ' ' A' ' 125' ' ' TYR . . . 173.61 -173.86 0.06 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.626 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.75 -4.62 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.074 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.594 ' H ' ' C ' ' A' ' 72' ' ' ALA . . . -108.49 98.98 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.247 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.509 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . 161.29 39.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -178.143 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 166.47 -31.42 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 -178.131 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -105.0 46.54 0.91 Allowed 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 124.198 0.936 . . . . 0.0 108.724 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.04 -30.17 1.75 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.222 0.951 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.35 -56.95 7.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.643 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.35 -49.58 73.97 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.4 -54.66 37.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.65 -37.77 42.75 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 178.654 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.85 -66.05 0.46 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.864 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.32 -36.33 2.74 Favored 'General case' 0 C--N 1.341 0.223 0 O-C-N 123.878 0.736 . . . . 0.0 111.112 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.16 -72.52 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 107.714 -2.154 . . . . 0.0 107.714 177.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.06 -46.66 8.62 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.595 0.82 . . . . 0.0 111.064 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.86 -50.55 66.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 110.238 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.49 -52.0 42.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.727 179.587 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.36 -37.05 79.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.259 0.224 . . . . 0.0 110.845 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.04 -52.62 41.39 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.007 0.432 . . . . 0.0 110.015 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.43 -34.78 63.31 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.372 179.022 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.43 -67.19 2.31 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.208 179.261 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.69 -36.97 93.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.91 76.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.49 -45.01 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 122.738 0.415 . . . . 0.0 110.184 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.57 -36.3 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -51.75 65.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -72.96 -58.0 3.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.418 -178.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -48.04 -54.36 13.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.081 0.552 . . . . 0.0 111.645 -179.211 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.79 -44.88 78.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.07 -11.06 59.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 119.104 -0.474 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -124.34 -110.74 1.89 Allowed Glycine 0 C--N 1.342 0.866 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . . . 178.64 -159.91 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.204 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.527 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -50.15 -28.91 14.25 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -74.74 0.1 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.23 74.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.469 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -62.6 -51.05 68.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.28 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.3 -38.13 67.46 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.3 -63.24 1.1 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.467 -178.647 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.28 -46.59 88.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.756 -178.667 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.15 -26.79 67.59 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.06 -31.34 62.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.61 -46.19 83.69 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.013 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -60.85 -32.4 71.81 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.026 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.31 -89.51 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 178.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -39.6 -30.07 0.18 Allowed Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.599 0.618 . . . . 0.0 114.179 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -59.05 4.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.016 0.908 . . . . 0.0 109.236 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.33 -47.3 77.0 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.49 -45.3 81.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -54.95 -43.6 73.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.582 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.73 -43.78 76.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.77 -37.79 79.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -66.35 -23.41 66.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.758 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -76.9 -49.04 16.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.661 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.899 ' CB ' ' HB1' ' A' ' 72' ' ' ALA . . . -78.5 -167.24 1.02 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.603 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -69.99 -176.76 1.18 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.9 -172.6 3.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.62 178.4 8.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.962 -1.494 . . . . 0.0 109.799 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 68.11 178.15 0.24 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 52.27 50.11 19.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.266 0.354 . . . . 0.0 110.586 -179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -80.27 -62.11 1.78 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.878 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.31 -34.98 48.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.223 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -63.97 -43.67 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.661 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.8 -50.21 21.63 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.36 -44.97 65.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.418 0.449 . . . . 0.0 110.495 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.56 -42.46 98.87 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.32 -28.5 68.19 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -38.29 89.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -64.09 -41.83 97.15 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -64.73 -22.88 67.08 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.2 -43.58 23.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.96 -26.02 64.84 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.581 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.93 -67.72 0.42 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.66 -28.84 64.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.54 67.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.744 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.85 -40.27 15.01 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -177.67 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.05 -51.61 68.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.815 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.42 -46.88 83.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.08 -60.62 3.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.036 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 39' ' ' GLU . . . -55.21 -20.27 10.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.052 178.247 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -79.98 -45.72 17.95 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.846 -179.139 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -72.11 -33.59 67.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.284 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.29 -53.21 4.22 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.94 -47.38 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.29 77.03 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.652 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -77.8 -21.13 52.07 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 117.59 0.177 . . . . 0.0 110.593 -178.871 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.31 -141.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.35 0.26 . . . . 0.0 110.787 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.83 68.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -160.88 -155.55 0.42 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -143.56 -31.07 0.48 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.846 0.716 . . . . 0.0 109.304 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.21 -45.66 90.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.73 81.65 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.79 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.47 67.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.324 0.39 . . . . 0.0 109.974 179.626 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.24 -47.58 65.66 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 123.332 0.395 . . . . 0.0 110.338 179.47 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -62.93 -35.6 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . . . -65.08 -42.67 93.89 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.2 -41.31 62.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.054 0.846 . . . . 0.0 108.928 177.591 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -56.64 -51.27 69.37 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.85 -34.34 72.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.137 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -56.66 -63.53 1.17 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.83 -40.78 1.03 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.157 0.91 . . . . 0.0 111.203 177.819 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -69.8 -49.55 51.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 178.773 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.68 -55.2 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 C-N-CA 123.369 0.667 . . . . 0.0 109.694 -178.648 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.18 81.18 1.79 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 173.791 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.617 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -84.25 133.28 34.57 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 -175.71 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -68.56 64.01 0.11 Allowed 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 175.541 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.617 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . 171.61 13.49 0.0 OUTLIER 'General case' 0 C--N 1.345 0.408 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -177.12 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -51.21 -52.31 19.42 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 CA-C-N 121.664 2.029 . . . . 0.0 110.324 178.513 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 10.26 48.92 0.01 OUTLIER Pre-proline 0 C--N 1.345 0.398 0 C-N-CA 126.048 1.739 . . . . 0.0 115.322 178.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.52 . . -172.7 -103.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 122.331 2.021 . . . . 0.0 108.768 -179.869 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . 71.82 59.1 0.16 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.733 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 100.38 47.95 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.241 0 O-C-N 125.14 1.525 . . . . 0.0 111.788 177.725 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.5 . . -73.29 -150.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.725 2.283 . . . . 0.0 106.8 176.834 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.13 92.1 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 121.206 -0.934 . . . . 0.0 109.531 178.68 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.19 -91.8 0.09 OUTLIER Glycine 0 C--N 1.336 0.581 0 N-CA-C 108.43 -1.868 . . . . 0.0 108.43 179.316 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -89.93 -61.79 1.61 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.288 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.44 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -65.12 -149.83 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.969 178.726 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 70.6 65.13 0.19 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.235 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 54.8 43.06 30.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.337 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -160.69 -168.79 2.21 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 58.21 -148.7 0.01 OUTLIER Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.517 . . 82.43 166.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.668 2.246 . . . . 0.0 109.886 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.12 -170.66 11.11 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 68.88 -160.78 0.19 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.8 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -47.51 -88.38 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 123.808 0.692 . . . . 0.0 111.611 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 127' ' ' GLU . . . 175.02 -176.0 0.09 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 178.88 39.74 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . 69.46 76.35 0.22 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.366 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . 96.79 -139.35 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 125.095 1.497 . . . . 0.0 109.257 179.557 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 1.123 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -152.04 85.01 1.27 Allowed 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 178.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.44 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . -32.05 32.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.245 0 O-C-N 125.118 1.511 . . . . 0.0 112.974 -178.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 1.123 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -147.45 -18.9 0.38 Allowed 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 124.002 0.814 . . . . 0.0 111.08 179.388 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -43.03 -37.74 2.05 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 174.19 85.02 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 119.708 -0.187 . . . . 0.0 111.115 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.88 -40.23 13.62 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 123.59 0.556 . . . . 0.0 111.786 179.255 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.02 -55.56 27.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.636 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.06 -41.61 68.35 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.75 -50.95 70.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.262 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.49 50.84 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.836 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.82 -64.48 0.81 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.679 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.71 -35.96 2.92 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 124.072 0.857 . . . . 0.0 111.156 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.01 -70.44 0.94 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.381 -2.288 . . . . 0.0 107.381 177.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.09 -45.58 16.4 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 124.706 0.886 . . . . 0.0 110.495 177.453 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -52.81 57.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.121 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.68 -46.22 74.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.17 -43.21 92.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.213 0.321 . . . . 0.0 110.615 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.81 -47.09 51.57 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.667 0.604 . . . . 0.0 109.926 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.87 -31.41 61.6 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.213 178.136 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.98 -65.01 3.89 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.9 179.021 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.12 92.09 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -178.776 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -65.74 -35.88 82.0 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.564 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -65.51 -47.02 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.746 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.53 -33.58 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.645 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -65.08 -49.08 71.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.452 179.565 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.644 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . -66.1 -41.54 90.48 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.725 -179.34 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.57 70.17 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.95 -26.64 48.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.183 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . -67.42 -113.58 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.853 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -78.77 -61.54 2.4 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.746 -0.475 . . . . 0.0 112.551 -178.488 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.85 -151.76 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 117.338 0.569 . . . . 0.0 111.356 -178.4 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.83 -18.08 2.56 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.628 -179.533 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.93 -75.42 0.08 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.01 0.405 . . . . 0.0 110.401 179.644 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.622 ' C ' ' HB1' ' A' ' 98' ' ' ALA . . . -61.0 -38.88 87.6 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.493 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 98' ' ' ALA . . . -59.97 -47.48 85.64 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.331 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.26 -35.69 91.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 -178.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.07 -61.2 2.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.37 0.605 . . . . 0.0 109.629 -179.832 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -57.97 -41.15 82.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.75 -17.39 64.53 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.137 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.13 -32.02 39.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.707 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.75 -43.65 98.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 176.149 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.45 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -69.58 -29.27 66.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 177.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.57 -46.5 93.62 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.665 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -57.3 -66.51 2.79 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 107.968 -2.053 . . . . 0.0 107.968 178.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.834 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.85 -65.53 0.49 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 179.541 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.77 -72.28 0.13 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.835 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -66.2 0.43 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.718 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -54.04 -35.13 61.64 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.865 -0.112 . . . . 0.0 111.019 -178.243 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.834 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -56.24 -45.04 80.14 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.012 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -75.9 -55.18 5.86 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.61 -24.98 15.6 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.4 0.28 . . . . 0.0 110.672 -179.505 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.9 -57.63 3.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -67.74 -67.64 0.44 Allowed 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 65.04 165.12 0.16 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.721 0.296 . . . . 0.0 110.802 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -178.68 58.87 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.882 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 64.18 60.41 0.98 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.033 -1.46 . . . . 0.0 109.819 179.963 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.743 ' O ' ' N ' ' A' ' 4' ' ' LYS . . . 177.3 178.76 0.27 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -55.57 61.21 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.743 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -160.09 59.51 0.35 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.873 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.16 -45.91 53.88 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.8 -38.19 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.31 -179.807 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.38 -53.18 14.99 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.8 -43.26 48.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.634 0.584 . . . . 0.0 110.82 179.613 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.73 -46.46 89.55 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.181 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.54 -30.1 68.37 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.121 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.05 -37.16 86.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.23 -41.27 77.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.585 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.87 -25.22 67.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.441 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.77 -46.66 21.01 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.763 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.67 -27.08 68.1 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.78 -66.77 0.51 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.327 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.1 -26.9 67.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.44 -37.23 62.63 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.643 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.84 -39.02 85.88 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.614 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.58 -50.92 72.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.352 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.9 -44.58 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.742 0.417 . . . . 0.0 111.08 178.534 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.34 -62.1 1.82 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.527 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -22.42 11.41 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.413 179.084 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.85 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.17 -44.0 20.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.769 -179.75 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.0 -37.02 75.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.386 -178.769 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.2 -53.0 4.61 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -62.85 -48.36 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.85 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -55.84 -39.51 71.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.631 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.93 -19.2 61.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.871 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -66.51 -146.86 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.349 0.26 . . . . 0.0 110.745 179.433 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 169.03 79.22 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.349 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -179.55 -33.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.635 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 170.11 -24.42 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.288 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -46.67 -50.94 16.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.703 0.627 . . . . 0.0 112.279 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -68.76 0.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.445 0.298 . . . . 0.0 111.785 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -65.79 0.5 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.178 0.299 . . . . 0.0 111.459 -178.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.91 -70.95 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.374 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.49 -49.95 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -60.09 -46.79 88.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 121.89 -0.506 . . . . 0.0 109.657 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.41 -52.79 12.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.766 0.666 . . . . 0.0 110.978 179.661 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.95 71.19 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.142 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -50.8 -56.72 10.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.329 178.455 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -43.83 -57.4 3.28 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.638 1.211 . . . . 0.0 108.68 178.35 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.69 -57.12 1.58 Allowed 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.581 1.176 . . . . 0.0 111.47 176.72 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.15 -47.28 72.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.359 0.527 . . . . 0.0 111.171 178.436 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.45 -34.6 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.252 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.55 60.56 3.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 103.473 -2.788 . . . . 0.0 103.473 173.207 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -84.69 -143.86 0.09 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -176.514 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.34 -161.26 0.4 Allowed 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 168.359 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -94.38 142.7 27.12 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.638 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -78.82 55.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.342 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.409 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -130.67 -30.64 0.03 OUTLIER Pre-proline 0 N--CA 1.453 -0.3 0 O-C-N 124.774 1.296 . . . . 0.0 107.691 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -69.62 -17.49 38.19 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.306 2.004 . . . . 0.0 109.983 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -93.73 -50.0 5.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.325 0.65 . . . . 0.0 109.723 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 52' ' ' ALA . . . -113.73 -174.3 0.27 Allowed Pre-proline 0 C--N 1.343 0.318 0 O-C-N 124.222 0.951 . . . . 0.0 112.234 -178.138 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.512 . . 154.54 -43.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.515 2.81 . . . . 0.0 108.83 -179.789 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.82 117.91 1.78 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.433 179.507 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.815 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 88.31 -6.31 83.71 Favored Glycine 0 C--N 1.338 0.692 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 178.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.438 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -54.87 43.47 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 117.332 0.566 . . . . 0.0 110.695 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . -162.13 171.59 17.19 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 173.89 93.13 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.161 0.288 . . . . 0.0 110.44 -179.648 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.972 ' CB ' ' HB3' ' A' ' 72' ' ' ALA . . . -77.71 138.54 39.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.741 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -176.17 -46.92 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 66' ' ' GLY . . . 71.1 30.9 0.04 OUTLIER Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -80.15 24.93 0.62 Allowed 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.263 1.975 . . . . 0.0 109.563 179.652 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 64' ' ' LEU . . . 164.83 -152.93 22.84 Favored Glycine 0 C--N 1.335 0.522 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -179.887 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -53.19 -65.61 0.53 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 122.413 0.285 . . . . 0.0 110.73 -179.444 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 62.84 174.84 0.15 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.51 0.324 . . . . 0.0 110.649 -179.702 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -162.46 -74.69 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.23 -65.51 0.91 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.72 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 53.95 -163.65 0.11 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.808 179.139 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.972 ' HB3' ' CB ' ' A' ' 62' ' ' THR . . . -100.84 132.83 46.05 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 179.7 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . 151.74 -83.18 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -178.451 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 53.62 -75.88 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.847 179.57 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.563 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 174.14 -96.69 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 118.184 0.447 . . . . 0.0 111.034 179.84 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.882 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . . . -89.61 15.16 9.97 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 123.923 0.764 . . . . 0.0 111.379 -178.257 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 85.05 -156.55 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.406 0.683 . . . . 0.0 111.385 178.304 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.29 -43.01 7.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.04 0.837 . . . . 0.0 113.093 -178.505 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.11 -61.77 1.95 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.577 0.171 . . . . 0.0 111.235 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.882 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . . . -52.53 -46.44 66.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.421 0.451 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.04 -46.49 75.31 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.64 -38.77 83.64 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 178.285 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -65.61 0.53 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.79 0.295 . . . . 0.0 110.611 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -50.18 -38.34 39.26 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 123.609 0.568 . . . . 0.0 109.57 179.722 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.25 -62.6 4.94 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 106.507 -2.637 . . . . 0.0 106.507 177.384 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.48 -41.52 53.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.705 -0.747 . . . . 0.0 109.812 176.411 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -54.48 -53.74 50.21 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.046 0.451 . . . . 0.0 111.311 -179.203 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.562 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.5 -38.91 72.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.73 -41.67 86.98 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.51 -37.32 48.66 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.233 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.745 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.92 -35.75 62.19 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.975 177.26 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.15 -67.86 1.84 Allowed Glycine 0 CA--C 1.523 0.589 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.775 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.76 90.94 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -53.93 -47.06 71.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 117.451 0.626 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.429 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -66.73 -38.92 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.41 -51.75 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.215 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.6 -62.32 1.97 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.516 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.71 -54.01 39.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 122.342 0.257 . . . . 0.0 110.975 -178.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.91 -51.7 28.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.834 0.709 . . . . 0.0 110.078 179.431 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.79 -44.07 69.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.361 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.15 -101.29 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.339 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.71 -160.95 33.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.337 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 74.1 130.79 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.206 0.526 . . . . 0.0 112.003 178.874 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.39 -4.66 80.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.67 -49.49 13.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.94 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -67.85 -39.77 83.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.631 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.727 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -75.58 -23.84 56.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.78 -57.79 2.8 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.6 -43.79 79.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -179.272 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.94 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -61.93 -52.13 65.32 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.634 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -62.9 -24.34 67.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.776 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.49 -35.56 40.01 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.41 -45.43 88.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.745 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.65 -30.67 70.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.54 -38.64 61.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.82 61.62 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.18 -53.48 19.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.01 -49.38 65.49 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -58.76 6.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.06 56.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 123.282 0.364 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.64 -51.63 66.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.587 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -71.31 -51.32 25.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.662 -179.427 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -52.6 -37.72 58.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 123.188 0.305 . . . . 0.0 110.394 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -75.67 -50.43 15.43 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.851 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -70.2 -64.31 0.92 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' A' ' 122' ' ' HIS . . . -55.91 -71.71 0.08 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 64.0 178.9 0.17 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.43 -63.32 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.746 179.962 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.21 -54.13 12.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.42 -39.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.97 -47.68 57.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.63 -46.21 63.55 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.649 0.593 . . . . 0.0 110.675 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.86 -42.45 97.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.33 -32.48 70.12 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.36 -38.56 87.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -66.9 -44.06 81.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.049 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.34 -25.8 64.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.45 -37.02 44.59 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.59 -30.77 68.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.66 -67.39 0.45 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.84 -33.57 70.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.33 -22.08 78.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 -41.12 20.73 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 108.659 -1.776 . . . . 0.0 108.659 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.02 -46.63 84.97 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.88 -45.99 90.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.494 0.718 . . . . 0.0 112.754 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.43 -60.68 3.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.989 0.423 . . . . 0.0 109.865 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -20.13 54.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.605 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.45 -42.18 23.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.748 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.92 -31.42 61.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.318 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.88 -46.42 9.52 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.02 -2.432 . . . . 0.0 107.02 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.88 -35.53 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -60.75 -42.11 96.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.54 -74.91 0.19 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.5 61.59 4.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.113 0.565 . . . . 0.0 110.42 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.07 -175.25 0.72 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.802 0.334 . . . . 0.0 110.701 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 174.64 -64.35 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.96 -49.83 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.06 -48.05 80.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.402 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.1 50.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.086 0.155 . . . . 0.0 110.975 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.75 24.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.399 0.437 . . . . 0.0 111.212 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.36 -47.18 69.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.002 0.188 . . . . 0.0 110.527 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 120.652 0.263 . . . . 0.0 111.082 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.2 -43.9 85.47 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -52.8 -46.47 67.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 123.871 0.732 . . . . 0.0 109.935 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.55 -49.83 69.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.84 -39.22 88.25 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.15 -67.99 0.21 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.124 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.48 -42.08 3.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 124.357 1.036 . . . . 0.0 111.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.14 -40.96 78.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -74.18 -46.93 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.78 -60.96 2.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.11 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.393 0 C-N-CA 122.934 0.493 . . . . 0.0 111.191 -178.415 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 110.764 -0.087 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -43.57 -32.32 0.91 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 123.744 0.652 . . . . 0.0 111.356 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -72.46 -58.88 3.03 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.981 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.97 -48.42 75.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.38 -47.77 75.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.86 -39.19 61.56 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.39 -67.42 0.27 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.189 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.5 -34.85 1.46 Allowed 'General case' 0 C--N 1.341 0.235 0 O-C-N 123.94 0.775 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.44 -73.2 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 106.958 -2.457 . . . . 0.0 106.958 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.24 -46.83 12.69 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.321 0.659 . . . . 0.0 111.279 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.31 -49.13 64.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.36 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.28 -42.71 77.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.12 -40.29 89.2 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.062 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.94 -47.02 61.12 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.51 70.51 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.609 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.84 -67.31 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.666 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.09 -37.68 91.85 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.19 78.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.629 0.714 . . . . 0.0 110.393 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.73 -44.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.555 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -61.91 -36.63 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.91 78.3 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.2 75.24 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . . . -58.4 -52.19 66.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -67.03 -52.76 38.38 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -22.33 13.87 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 78.08 16.76 79.34 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.606 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -83.29 86.79 6.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -29.62 57.83 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.61 -29.32 36.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -75.63 -36.09 60.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.263 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.03 -26.58 39.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 122.52 0.328 . . . . 0.0 110.562 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.26 -45.17 10.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.55 -39.03 65.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.39 69.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.67 -27.64 69.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 122.487 0.315 . . . . 0.0 111.387 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.36 -32.83 64.74 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.18 -41.1 98.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -69.36 -30.55 68.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.74 -52.36 51.22 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -73.91 -18.93 79.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.61 -61.0 1.94 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.05 -47.83 84.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.5 -46.69 76.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -52.73 -41.26 63.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.413 0.446 . . . . 0.0 110.126 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -58.55 -53.95 52.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.31 -39.78 80.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.18 -41.56 57.73 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.23 -42.19 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.452 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.86 -52.33 25.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -48.78 -46.37 41.38 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.813 0.696 . . . . 0.0 111.175 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.58 -45.33 94.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.98 -29.9 67.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.01 -38.66 92.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.67 -41.8 78.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.199 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.73 -26.16 66.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.12 -40.32 46.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.07 -29.4 68.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.91 -67.38 0.46 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.28 -31.24 68.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.3 78.72 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.24 -40.57 19.62 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.51 -46.98 85.62 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.67 -47.47 82.22 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.529 0.731 . . . . 0.0 112.815 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.43 -61.91 1.93 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 110.71 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -22.06 56.18 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.392 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.674 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.3 -43.06 21.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.772 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.14 -34.22 65.97 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 122.618 0.367 . . . . 0.0 111.185 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.87 -46.84 12.82 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.72 -2.152 . . . . 0.0 107.72 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.23 -33.51 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -61.88 -43.48 98.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.373 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.27 -76.33 0.16 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 119.851 -0.118 . . . . 0.0 110.811 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.48 62.77 6.09 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.959 0.504 . . . . 0.0 109.884 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.78 -176.24 1.03 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 110.754 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 174.43 -64.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 169.61 -49.98 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.86 -49.51 72.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -54.99 39.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.061 0.144 . . . . 0.0 111.273 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.93 39.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.299 0.374 . . . . 0.0 111.063 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.42 -46.16 66.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.141 0.276 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -65.63 -36.3 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 111.134 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.97 -45.11 78.7 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.65 67.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.74 0.65 . . . . 0.0 109.61 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.31 -50.55 71.13 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.94 -37.14 81.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.58 -70.25 0.11 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.744 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.01 -41.08 1.58 Allowed 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.186 0.928 . . . . 0.0 112.484 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -60.77 -40.14 91.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.42 -48.62 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.21 -54.04 18.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.643 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.399 0 C-N-CA 122.763 0.425 . . . . 0.0 111.966 -177.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -37.25 4.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 124.106 0.879 . . . . 0.0 111.691 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.28 -62.21 1.48 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.68 -49.21 65.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.36 -45.77 76.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.0 -39.34 78.99 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.75 -66.58 0.37 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.467 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -48.01 -36.04 12.06 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 123.701 0.625 . . . . 0.0 109.979 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.61 -66.66 2.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 106.852 -2.499 . . . . 0.0 106.852 177.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.52 -43.21 35.02 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.326 0.662 . . . . 0.0 110.325 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -52.7 -52.39 56.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.013 0.435 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.34 -40.32 74.28 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.03 -41.56 83.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.42 -38.52 53.99 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.81 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.05 -37.51 64.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.968 177.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.47 -64.72 3.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.424 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.59 -39.17 96.56 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.44 -44.4 72.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 117.181 0.49 . . . . 0.0 110.292 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.0 -40.95 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.38 -50.4 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.4 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.166 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.91 68.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -55.75 -49.03 74.21 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.45 -38.16 58.61 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.349 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -104.25 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.22 -55.19 0.19 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.09 126.81 2.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.34 -4.59 89.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.23 -44.35 17.9 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.63 63.09 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.486 -1.233 . . . . 0.0 108.115 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.73 -62.52 1.82 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.67 92.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.13 -58.68 5.4 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.9 -39.29 74.14 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.68 -22.01 66.09 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.495 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.69 -33.93 40.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.21 -42.23 94.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.81 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.55 -29.12 67.61 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.61 -40.73 94.17 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -80.07 -23.34 61.6 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.75 -57.85 5.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.94 -46.99 86.88 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.69 -45.58 81.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -55.26 -44.53 75.68 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.59 -48.8 68.9 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -66.55 -36.48 82.78 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.858 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.425 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -80.09 -30.81 39.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.64 -48.06 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.95 -50.39 35.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.35 -45.18 54.9 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.744 0.652 . . . . 0.0 111.004 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.99 -43.63 98.44 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.44 -30.34 68.42 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.96 -38.09 89.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.99 -43.28 79.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.202 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.68 -26.06 65.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.3 -35.97 47.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.78 -26.37 62.4 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -69.08 -68.08 0.43 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.3 -29.65 70.0 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.48 -23.13 76.23 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.57 -39.99 24.05 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.02 -51.09 71.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.41 -42.31 77.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.184 0.594 . . . . 0.0 112.106 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.9 -63.96 0.99 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.008 0.433 . . . . 0.0 110.101 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -55.78 -23.68 31.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.42 -45.77 17.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.517 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.22 -34.31 70.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.561 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.43 -50.91 5.16 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.63 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -59.12 -45.31 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -65.25 -37.78 88.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.647 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.04 -31.69 56.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.46 -118.97 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.56 -162.26 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.76 74.37 1.21 Allowed 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 123.845 0.716 . . . . 0.0 110.009 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.82 -88.57 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.76 -50.36 69.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -56.73 -50.56 71.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 122.474 -0.141 . . . . 0.0 110.798 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.42 64.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.282 0.363 . . . . 0.0 110.234 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.64 -49.25 62.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.292 0.37 . . . . 0.0 110.989 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -36.08 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.87 -43.43 92.98 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -52.96 -42.62 65.67 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.733 0.645 . . . . 0.0 109.531 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.54 -50.38 72.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.3 -38.28 79.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.57 -64.02 0.96 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.26 -46.92 2.38 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.121 0.969 . . . . 0.0 112.409 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.13 -39.77 75.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.86 -37.33 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -44.23 -49.59 9.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 124.508 1.13 . . . . 0.0 110.862 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.031 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.776 -0.083 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.81 -34.98 4.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.863 0.727 . . . . 0.0 111.733 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.07 -56.86 7.35 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.633 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.34 -46.43 72.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.73 -46.46 81.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.64 65.19 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.51 -66.13 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.113 -0.47 . . . . 0.0 110.065 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.03 -34.86 1.87 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.236 0.96 . . . . 0.0 110.781 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.15 1.79 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 106.633 -2.587 . . . . 0.0 106.633 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.61 -47.06 40.29 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.292 0.642 . . . . 0.0 110.973 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.5 49.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.45 0.3 . . . . 0.0 111.363 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.77 -37.78 71.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.548 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.1 -43.03 61.01 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.622 0.725 . . . . 0.0 109.336 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.69 -33.62 62.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.712 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.75 -64.79 4.06 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.206 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.4 -36.67 89.42 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -55.62 -37.76 68.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.483 0.641 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -74.23 -41.96 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.61 -52.08 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.86 67.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.577 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.38 67.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -56.17 -51.26 68.66 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.09 -51.62 15.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.6 -27.67 50.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.16 78.57 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.523 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -83.84 85.87 7.24 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.63 -25.52 55.64 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.9 -31.91 34.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.685 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -74.84 -36.09 62.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.115 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.432 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -80.13 -25.16 40.0 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.03 -47.39 9.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.54 -32.14 69.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -65.11 -57.9 7.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.49 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.27 -25.97 67.45 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.96 -33.11 59.77 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.1 -44.2 87.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -74.09 -26.53 60.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.58 13.57 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.77 -18.72 74.73 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.37 -56.97 7.55 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.2 -46.77 82.48 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.45 -50.0 72.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.47 75.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.065 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.82 -47.2 74.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -71.94 -36.41 69.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.36 -50.62 37.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.31 -38.61 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.11 -48.81 50.08 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.24 -48.09 65.37 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.477 0.486 . . . . 0.0 110.896 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.45 -38.95 89.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.29 -32.3 71.07 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.63 -38.48 91.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.17 -46.29 87.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.846 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.48 -28.07 65.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.85 -37.03 67.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.85 -39.62 93.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.1 -64.31 0.99 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -54.53 -36.33 64.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.34 -71.79 0.69 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.78 -43.55 2.39 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.393 0.997 . . . . 0.0 114.115 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.84 -54.8 41.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.115 1.458 . . . . 0.0 108.227 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.0 -49.17 42.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.274 0.63 . . . . 0.0 112.145 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.32 -57.67 7.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.86 69.61 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.278 0.561 . . . . 0.0 110.188 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -78.0 -34.61 50.67 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.517 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.47 -58.48 3.93 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.625 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.93 -41.98 99.77 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.97 -37.22 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -68.94 -40.54 78.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.38 -16.68 53.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.504 0.322 . . . . 0.0 110.533 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.92 -142.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.271 0.228 . . . . 0.0 110.574 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.95 61.72 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -157.41 -152.74 0.37 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.65 -26.56 0.41 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 123.676 0.61 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -59.21 -50.14 75.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.88 78.2 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.99 61.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 123.416 0.448 . . . . 0.0 110.169 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.94 -47.14 68.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -60.84 -35.74 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.2 -43.4 91.68 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.45 -44.95 62.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.245 0.965 . . . . 0.0 109.112 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -53.84 -51.07 64.74 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.63 -34.28 75.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.46 -59.91 4.16 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.83 -42.46 1.81 Allowed 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.914 1.384 . . . . 0.0 109.452 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -56.49 -46.05 80.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -63.19 -47.38 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.41 66.75 4.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.818 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -172.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 120.639 0.257 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.01 -38.4 3.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.311 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.83 -61.69 1.69 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.626 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.27 -48.7 70.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.47 -46.65 76.83 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.79 60.58 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -63.79 1.04 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.39 -36.47 1.94 Allowed 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.952 0.782 . . . . 0.0 111.362 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.57 -67.28 2.26 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 106.543 -2.623 . . . . 0.0 106.543 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.58 -50.81 16.84 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.402 0.707 . . . . 0.0 111.235 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.98 22.07 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 122.46 0.304 . . . . 0.0 111.174 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.34 -41.91 69.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.77 -42.2 78.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.492 177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.48 -44.65 62.53 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.681 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -70.23 -36.51 74.58 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.425 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.25 -67.95 1.95 Allowed Glycine 0 CA--C 1.525 0.662 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.17 97.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -53.85 -37.34 63.54 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 117.289 0.544 . . . . 0.0 110.137 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -71.41 -41.13 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.09 -53.23 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.67 -48.15 80.31 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.73 68.3 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -59.39 -51.48 69.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.51 -51.8 52.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.412 0.445 . . . . 0.0 110.507 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.32 174.31 11.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.92 21.81 44.08 Favored Glycine 0 C--N 1.339 0.702 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -78.32 61.84 2.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.784 0.292 . . . . 0.0 110.606 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.71 -27.24 70.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.26 -63.27 1.14 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -69.71 -9.63 55.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.0 -31.5 39.73 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.99 -41.26 23.08 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 107.423 -2.271 . . . . 0.0 107.423 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.87 77.62 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.49 -47.1 83.15 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.09 -29.68 70.48 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 122.367 0.267 . . . . 0.0 110.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.33 -31.76 65.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.681 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -66.4 -27.61 67.98 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.79 -50.75 45.61 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -73.5 -24.05 75.74 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.8 -58.16 5.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.45 -48.89 79.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.17 -43.2 78.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -53.57 -47.02 70.47 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.06 -50.73 70.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -59.35 -39.11 82.15 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.05 -39.08 63.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.09 -46.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.675 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.09 -51.43 21.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.76 -44.77 63.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.477 0.486 . . . . 0.0 110.922 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -28.51 68.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -37.92 88.4 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.16 -45.04 71.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.05 -25.6 61.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.05 -36.06 36.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.7 -25.13 61.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -73.29 -69.09 0.44 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.85 -32.77 67.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.78 -28.63 64.65 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.58 -38.91 68.39 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.024 -2.031 . . . . 0.0 108.024 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.14 -52.11 66.74 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.31 -49.91 41.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 112.839 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.12 -61.29 2.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.278 0.231 . . . . 0.0 111.343 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.67 -27.23 38.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -79.01 -37.03 40.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.215 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.32 -38.87 71.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.425 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.14 -45.2 41.62 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.484 -1.846 . . . . 0.0 108.484 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.51 -42.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.85 72.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.65 -33.98 77.15 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -99.11 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.85 -96.8 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.01 51.39 0.6 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.63 -133.94 0.33 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 124.435 1.084 . . . . 0.0 112.176 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -66.06 -38.9 89.51 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.975 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.88 29.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.6 -55.28 20.15 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.372 -0.347 . . . . 0.0 111.253 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.29 -52.01 48.99 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.278 0.361 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.54 -37.96 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.002 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.95 -43.37 92.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -51.19 -46.14 62.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.225 0.953 . . . . 0.0 109.698 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.89 71.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.48 -38.22 86.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.9 -62.62 1.54 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.26 -47.81 4.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 124.165 0.915 . . . . 0.0 111.939 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.36 -43.97 68.2 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.823 0.344 . . . . 0.0 110.083 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -69.7 -36.78 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.26 -54.31 22.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.713 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.39 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.84 -35.7 24.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 123.483 0.489 . . . . 0.0 109.984 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.09 -54.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.58 -39.65 68.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.0 -48.8 75.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.03 62.38 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.14 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.13 14.2 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 123.498 0.499 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.88 -70.92 0.78 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.773 -2.131 . . . . 0.0 107.773 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.05 -44.28 31.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.382 0.695 . . . . 0.0 110.589 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.58 64.13 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 110.732 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.35 -44.41 72.11 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.33 -41.14 92.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.79 -44.46 48.97 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.72 -34.86 62.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.846 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.68 -65.62 3.31 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 114.097 -1.41 . . . . 0.0 110.839 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.35 83.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.46 91.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.326 0.563 . . . . 0.0 109.888 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.21 -45.53 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -61.95 -39.77 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.54 72.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.08 93.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.567 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.26 -53.86 52.21 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -65.03 -51.2 62.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.86 -18.97 5.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.4 14.61 82.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -82.96 86.18 7.02 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.88 -25.64 53.16 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.84 35.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -71.12 -34.81 71.41 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.05 -25.92 39.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.594 0.358 . . . . 0.0 110.599 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.75 -50.79 6.81 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.91 -37.78 82.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.38 -56.66 14.53 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.557 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -55.97 -30.9 62.45 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.073 0.549 . . . . 0.0 112.214 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.87 -33.23 63.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -57.61 -44.45 85.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.502 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.23 -26.84 61.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.883 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.71 11.05 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.27 -23.12 74.7 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -57.97 7.0 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.19 -46.99 75.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.58 -53.87 51.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.23 68.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.422 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.62 -45.94 70.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 123.172 0.295 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.71 -40.09 66.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.473 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.731 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.43 -47.24 57.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.71 -34.09 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.54 -50.75 16.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.34 -43.88 64.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.429 0.456 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.2 -42.84 99.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.61 -28.44 67.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.98 -38.74 89.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.92 -45.27 82.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.3 -22.71 65.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.09 -43.16 22.25 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.35 -22.28 65.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -74.44 -66.15 0.77 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.8 -36.41 74.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.6 -39.18 56.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.13 -42.27 96.59 Favored Glycine 0 C--N 1.335 0.505 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -50.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.88 -50.2 46.71 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.137 0.575 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.6 -61.72 2.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.361 0.264 . . . . 0.0 111.369 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.26 46.6 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 123.787 0.68 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -69.21 -39.81 78.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.492 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.78 -46.64 52.24 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.52 -49.66 18.41 Favored Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -55.25 -51.89 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HA3' ' A' ' 108' ' ' GLY . . . -61.48 -28.6 69.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.09 -31.19 55.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -114.59 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -89.61 -166.43 1.59 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.34 81.33 1.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.022 0.826 . . . . 0.0 111.525 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.69 -88.11 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -68.9 -40.98 78.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.17 34.7 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.089 ' HB1' ' HB1' ' A' ' 99' ' ' ALA . . . -51.44 -44.41 62.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 122.618 0.367 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.57 -46.53 80.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -58.96 -40.28 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.693 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.17 -43.22 87.52 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 105.647 -1.982 . . . . 0.0 105.647 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.39 -46.08 62.72 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.231 0.957 . . . . 0.0 110.026 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.49 72.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -46.19 91.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -49.58 -64.69 0.73 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.167 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.54 -46.19 4.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 124.646 1.216 . . . . 0.0 111.926 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.86 -39.6 65.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.07 -39.91 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.241 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.94 -51.59 67.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.748 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.449 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -52.69 -25.9 12.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.773 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.7 -54.62 40.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.22 -41.95 76.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.48 -48.47 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.88 65.14 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.25 -63.75 1.05 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.71 -34.94 8.92 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.77 0.669 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.13 -69.56 1.2 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.652 -2.179 . . . . 0.0 107.652 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.01 -48.58 43.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.031 -0.584 . . . . 0.0 111.34 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.53 67.0 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.063 0.459 . . . . 0.0 110.437 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.1 -49.52 63.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.374 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.32 -39.31 82.72 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.237 -0.411 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -49.27 -48.03 46.27 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.364 0.602 . . . . 0.0 109.417 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -34.6 63.36 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.468 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -50.96 -67.92 1.72 Allowed Glycine 0 CA--C 1.534 1.254 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.534 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.14 60.41 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -64.01 -37.81 88.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.462 0.631 . . . . 0.0 109.43 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.69 -45.02 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.0 -38.7 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.09 -51.53 69.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.33 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -73.04 -36.53 66.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 1.089 ' HB1' ' HB1' ' A' ' 36' ' ' ALA . . . -62.61 -55.05 30.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.114 0.166 . . . . 0.0 110.807 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -71.37 -70.25 0.33 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.741 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.05 84.07 5.84 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.355 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 49.74 -169.5 0.19 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.719 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 59.35 47.99 10.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 122.403 0.281 . . . . 0.0 111.267 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.23 -27.09 74.07 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.27 -50.73 17.74 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.35 -16.35 64.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.479 ' O ' ' HB3' ' A' ' 110' ' ' ALA . . . -69.95 -68.53 0.41 Allowed 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.504 ' HA3' ' HB1' ' A' ' 28' ' ' ALA . . . -50.45 -39.69 37.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.63 98.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 107' ' ' PHE . . . -61.29 -42.96 99.53 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.876 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -69.14 -19.75 64.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 122.878 0.471 . . . . 0.0 110.931 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -77.84 -34.72 51.72 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.02 -43.2 86.58 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.8 -27.89 64.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 -49.24 49.1 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -77.41 -21.86 71.74 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.13 -56.0 7.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.55 -48.7 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.67 -54.0 47.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -51.58 -44.53 62.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.348 0.405 . . . . 0.0 110.35 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.38 -56.62 18.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -56.85 -41.47 77.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 O-C-N 123.206 0.317 . . . . 0.0 110.157 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -72.23 -48.46 42.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.91 -42.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.68 -50.6 34.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -49.48 -48.05 48.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.667 0.604 . . . . 0.0 111.298 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.19 -42.14 98.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -31.12 68.73 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.4 93.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.64 -41.61 98.22 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.102 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.25 -27.03 68.71 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.9 -34.91 62.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.11 -38.36 75.6 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -60.46 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.79 -32.01 67.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.54 -77.78 0.15 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 108.501 -1.84 . . . . 0.0 108.501 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.97 -42.38 2.23 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.614 1.102 . . . . 0.0 115.198 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.7 -51.54 69.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.665 1.733 . . . . 0.0 108.253 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.4 -48.9 71.05 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.137 0.575 . . . . 0.0 111.993 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.47 -57.77 10.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -18.36 21.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -80.47 -47.79 13.8 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.51 -30.3 68.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.49 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.1 -48.66 6.36 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 31' ' ' PHE . . . -62.31 -35.82 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -42.11 87.15 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.717 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -76.07 0.14 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.92 66.48 9.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 27' ' ' VAL . . . -47.66 151.56 0.83 Allowed 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.726 0.641 . . . . 0.0 111.564 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -160.61 -7.56 0.05 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.447 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 77.02 -51.93 0.56 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.94 0.496 . . . . 0.0 110.282 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.62 -48.9 77.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.008 0.123 . . . . 0.0 110.693 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.6 80.09 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.47 68.5 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -50.5 -48.06 57.05 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.328 0.392 . . . . 0.0 111.051 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.35 -28.81 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -68.99 -45.05 71.58 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.06 -41.55 68.27 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.28 -51.56 67.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.33 -36.77 78.73 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.03 -65.92 0.49 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.66 -46.73 2.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.297 1.039 . . . . 0.0 112.799 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.74 -38.82 72.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -71.35 -40.35 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.03 -49.32 51.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.806 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 178.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -34.21 2.89 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.095 0.872 . . . . 0.0 111.288 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.01 -55.39 14.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.628 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.25 -48.14 74.39 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.68 -48.2 75.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.3 -39.53 65.11 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.46 -66.67 0.35 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.163 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.0 -35.72 3.06 Favored 'General case' 0 C--N 1.341 0.202 0 O-C-N 124.1 0.875 . . . . 0.0 110.739 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.14 -68.93 1.37 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.72 -46.03 40.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.164 0.567 . . . . 0.0 111.019 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.59 49.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.193 0.308 . . . . 0.0 111.009 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.74 -38.34 69.66 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.25 99.21 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 123.731 0.644 . . . . 0.0 110.412 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.28 -43.01 53.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.593 0.711 . . . . 0.0 109.307 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.58 -36.09 63.02 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.359 -1.292 . . . . 0.0 109.68 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.13 -65.09 3.61 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 114.0 -1.455 . . . . 0.0 109.958 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.5 92.84 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -57.41 -39.08 75.4 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 117.217 0.508 . . . . 0.0 109.961 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.98 -41.87 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.51 -48.85 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.14 79.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -59.81 -37.25 78.62 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -53.17 -50.45 64.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.779 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.39 162.38 1.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 57.56 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 119.735 -0.174 . . . . 0.0 110.729 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.779 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -100.53 -100.2 2.36 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . -153.1 127.88 9.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.108 0.48 . . . . 0.0 111.418 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.04 -15.66 58.69 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -29.05 35.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.97 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.25 -36.19 66.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.576 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -80.05 -26.54 39.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.59 -48.97 6.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.22 -35.2 66.26 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.97 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.76 -54.1 40.61 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.715 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.73 -27.02 67.61 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.75 0.42 . . . . 0.0 111.47 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.97 -31.58 61.49 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.55 -41.67 90.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.491 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.64 -27.8 61.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.09 -53.55 36.16 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.89 -20.08 74.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.11 -59.8 2.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.07 -45.81 93.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.76 -44.84 82.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.39 74.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.77 -52.36 65.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.381 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -65.42 -61.45 2.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 O-C-N 123.679 0.612 . . . . 0.0 110.603 179.676 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.31 -51.08 26.35 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.77 -36.43 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.94 -50.48 19.85 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.48 -42.2 64.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.5 0.5 . . . . 0.0 110.277 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.15 94.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.1 -28.0 67.48 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.0 -37.63 88.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -45.16 66.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.16 -24.05 57.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.65 -38.58 33.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -23.46 62.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.7 -68.63 0.46 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.38 -30.88 65.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.35 69.13 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.42 -40.35 97.68 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.438 ' CB ' ' CB ' ' A' ' 42' ' ' LYS . . . -57.88 -51.86 67.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.82 -49.13 40.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.202 0.601 . . . . 0.0 111.893 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -66.71 -62.97 1.17 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.619 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -32.84 36.13 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 123.551 0.532 . . . . 0.0 109.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.419 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -74.65 -42.38 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.751 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -64.76 -44.31 90.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.13 -48.07 21.31 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.15 -51.14 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.98 63.78 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -67.84 -37.25 81.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.61 -100.59 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.84 -123.46 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -87.25 -160.88 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.72 0.408 . . . . 0.0 110.062 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 51.44 -69.03 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.499 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -46.34 -61.51 1.76 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -53.86 -65.39 0.58 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.2 -70.22 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.7 -61.77 1.93 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.521 0.329 . . . . 0.0 111.733 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.07 -50.49 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 122.878 0.471 . . . . 0.0 112.173 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.97 -42.67 99.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.914 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -48.77 -56.95 7.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -56.46 21.97 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' CB ' ' CB ' ' A' ' 20' ' ' SER . . . -61.89 -52.44 64.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.378 -0.201 . . . . 0.0 111.371 -177.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -49.56 -57.14 7.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.33 0.652 . . . . 0.0 109.843 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.93 -45.0 10.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.411 0.444 . . . . 0.0 110.281 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' LEU . . . -57.88 -43.35 85.98 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -52.98 -35.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -66.61 107.05 1.97 Allowed 'General case' 0 CA--C 1.512 -0.487 1 N-CA-C 93.643 -6.429 . . . . 0.0 93.643 170.296 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.852 0 CA-C-N 119.39 0.995 . . . . 0.0 113.681 -165.651 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.135 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.89 -42.57 17.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 123.579 0.55 . . . . 0.0 111.723 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.73 -60.95 2.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.588 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.65 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -50.83 -42.65 58.65 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 123.692 0.62 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.12 -47.39 78.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.65 -37.03 74.07 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.38 -62.45 1.65 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.605 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -52.34 -39.68 60.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.28 -63.03 4.29 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 107.136 -2.386 . . . . 0.0 107.136 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -51.3 -40.93 60.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.489 -0.856 . . . . 0.0 109.497 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -53.58 -53.54 50.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 123.311 0.382 . . . . 0.0 111.184 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -55.35 -40.57 71.41 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.89 -41.13 86.41 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.99 -39.12 54.9 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.774 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.56 -35.38 67.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.614 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.01 -69.59 1.12 Allowed Glycine 0 CA--C 1.526 0.761 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.871 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.83 91.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.0 67.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.849 0.824 . . . . 0.0 110.396 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -62.73 -37.03 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -54.18 -52.03 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.71 74.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.333 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.99 -40.82 67.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.914 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -53.85 -53.51 51.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -72.71 -45.12 60.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . . . -57.75 -35.77 71.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.113 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 75.76 -162.97 53.32 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 72.88 125.13 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.553 0.341 . . . . 0.0 110.631 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.16 -13.2 83.18 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.03 -55.42 4.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.21 65.92 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -66.6 -66.86 0.5 Allowed 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.26 -37.82 25.11 Favored Glycine 0 C--N 1.337 0.636 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.42 94.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 107' ' ' PHE . . . -60.49 -52.03 66.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.657 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.419 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -61.93 -21.11 64.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.18 -37.02 34.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.07 -41.75 75.59 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.774 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.64 -28.42 61.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.07 -43.56 71.67 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.38 -25.33 59.29 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.75 -43.94 91.71 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.71 -47.44 39.47 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.601 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.88 -52.22 65.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.33 77.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.76 -45.84 70.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.244 0.34 . . . . 0.0 110.089 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.26 -70.92 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 O-C-N 123.248 0.343 . . . . 0.0 110.209 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.45 -54.55 16.25 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.28 -36.03 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.56 -50.67 34.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.75 -47.5 59.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.562 0.539 . . . . 0.0 111.163 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.61 -42.53 97.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.07 -31.67 69.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.16 -37.91 89.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.66 -44.84 92.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.117 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.89 -28.8 67.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -70.9 -40.06 72.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.07 -38.84 92.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -56.98 -64.71 0.79 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.17 -33.32 65.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.0 -74.48 0.33 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.79 -42.81 2.21 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.504 1.049 . . . . 0.0 114.421 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.86 -51.62 68.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.928 1.364 . . . . 0.0 108.01 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.57 -48.34 77.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.181 0.592 . . . . 0.0 112.521 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.54 -58.22 8.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.835 0.35 . . . . 0.0 110.299 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -20.72 59.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.979 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.12 -42.79 22.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.232 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.95 -31.9 56.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.546 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.23 4.67 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.929 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -56.55 -47.98 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.57 -37.08 85.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.019 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.15 -30.77 58.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.791 0.269 . . . . 0.0 110.508 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -121.72 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.93 -155.28 0.27 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -146.33 -171.65 3.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.976 0.797 . . . . 0.0 110.553 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 70.74 -85.31 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.672 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.23 -53.86 49.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.929 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -54.9 -49.74 70.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 122.301 0.24 . . . . 0.0 110.806 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.38 63.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.373 0.421 . . . . 0.0 109.935 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.89 -48.88 66.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.225 0.328 . . . . 0.0 110.437 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -38.24 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.534 0.206 . . . . 0.0 111.044 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.89 -42.13 97.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.04 -45.5 64.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.009 0.818 . . . . 0.0 109.563 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.02 38.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.34 -33.59 72.63 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.6 -60.36 3.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.88 -40.9 2.26 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.774 1.296 . . . . 0.0 110.078 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -62.35 -50.34 71.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.94 -44.7 95.06 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -79.06 70.74 5.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 103.369 -2.826 . . . . 0.0 103.369 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 -175.673 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.317 0.103 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.37 -45.47 17.77 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.973 0.509 . . . . 0.0 111.877 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.96 -56.36 17.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.699 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -53.27 -31.34 43.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.63 -57.87 11.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.37 -6.4 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -80.57 -74.27 0.32 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.23 -37.39 10.34 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 123.864 0.728 . . . . 0.0 110.462 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.9 -63.68 4.79 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.849 -2.9 . . . . 0.0 105.849 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.37 -47.68 18.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 124.606 0.827 . . . . 0.0 110.89 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.48 -55.1 28.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.379 0.272 . . . . 0.0 111.505 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.6 -44.65 73.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.55 -42.2 78.12 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.62 -44.13 57.11 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.551 0.691 . . . . 0.0 109.165 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -71.65 -36.89 70.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.507 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.34 -67.14 2.37 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.531 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.92 98.21 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.38 -38.61 66.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.215 0.508 . . . . 0.0 110.177 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.27 -41.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.24 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.06 -57.39 13.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.15 63.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.48 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.99 -52.2 66.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.32 -41.47 62.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.95 -104.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.25 36.7 0.02 OUTLIER Glycine 0 C--N 1.336 0.572 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -101.12 90.86 4.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.668 0.787 . . . . 0.0 110.006 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.1 -25.59 57.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.85 36.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.54 -34.91 65.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.01 -28.17 39.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.87 -46.65 10.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.87 70.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.57 -53.14 56.42 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.46 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.3 -28.99 68.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.354 0.262 . . . . 0.0 111.037 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.01 -32.95 65.46 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.84 -45.24 95.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.638 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.65 -28.02 67.36 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.12 52.61 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 108.859 -1.697 . . . . 0.0 108.859 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.6 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -55.48 -65.89 3.23 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -47.44 -64.76 0.7 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.879 0.339 . . . . 0.0 111.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -57.45 -70.57 0.12 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.29 -67.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -48.27 -39.85 22.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -58.62 -50.47 73.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -63.84 -45.91 87.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 C-N-CA 123.353 0.661 . . . . 0.0 112.183 -179.431 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.14 -51.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.94 -40.83 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.511 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -50.36 35.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.61 -47.57 66.87 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 123.446 0.466 . . . . 0.0 110.714 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.34 -39.16 92.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.2 -28.42 67.96 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -67.05 -39.48 86.92 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.28 -45.36 91.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.76 -28.06 67.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.63 -31.31 61.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.9 -36.8 75.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.05 -65.11 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.39 -34.99 67.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.97 -73.72 0.41 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.81 -41.79 1.95 Allowed Glycine 0 C--N 1.338 0.692 0 C-N-CA 124.332 0.968 . . . . 0.0 114.476 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.12 -55.81 29.36 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 118.959 1.38 . . . . 0.0 108.384 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.28 -48.06 46.32 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.601 0.761 . . . . 0.0 113.007 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.21 -57.48 6.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.71 -29.25 67.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.2 -28.03 38.73 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.699 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.19 -61.25 1.96 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.064 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -38.96 96.73 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.648 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -65.22 -36.24 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -71.75 -40.23 69.49 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.55 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -79.99 -26.45 39.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.19 -117.7 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -92.48 -156.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.68 77.61 0.98 Allowed 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.533 0.521 . . . . 0.0 110.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.72 -91.97 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.65 -53.56 55.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.648 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -55.41 -48.98 73.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.616 0.189 . . . . 0.0 110.816 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.36 56.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.452 0.47 . . . . 0.0 110.052 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.72 -49.61 62.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 123.326 0.391 . . . . 0.0 110.64 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.75 -35.98 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.546 0.212 . . . . 0.0 111.071 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.47 -42.85 95.67 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.691 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -52.18 -45.11 64.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.074 0.859 . . . . 0.0 109.185 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.6 -54.26 43.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.53 -32.96 73.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.01 -60.61 3.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.66 -44.21 3.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 124.643 1.215 . . . . 0.0 110.144 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.93 -46.14 74.91 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 177.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.3 -37.03 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.36 5.91 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 102.505 -3.146 . . . . 0.0 102.505 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -172.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.8 -39.61 5.43 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 123.779 0.674 . . . . 0.0 111.704 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.666 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.68 -45.58 89.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.46 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.46 -52.27 65.33 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.46 -38.36 34.59 Favored Glycine 0 C--N 1.339 0.703 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -64.72 0.74 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -41.31 -36.1 0.75 Allowed 'General case' 0 C--N 1.34 0.191 0 O-C-N 124.49 1.119 . . . . 0.0 111.338 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.88 -69.38 1.28 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.12 -49.43 16.67 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 124.749 0.911 . . . . 0.0 110.995 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.97 -54.81 29.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.528 0.331 . . . . 0.0 111.417 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.38 -44.6 72.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.05 -42.45 85.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.283 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 94' ' ' ALA . . . -51.42 -49.1 62.31 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.309 0.576 . . . . 0.0 110.309 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -72.08 -34.52 68.75 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.014 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.93 -67.55 2.15 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.04 91.4 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.839 -0.505 . . . . 0.0 111.839 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -67.24 -34.7 78.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 117.649 0.725 . . . . 0.0 110.219 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.574 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -67.27 -43.36 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -66.86 -37.84 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -53.77 42.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -64.23 -31.42 72.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.691 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.12 1.78 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.15 -38.96 42.47 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -77.8 -146.05 2.6 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.06 -178.26 4.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.986 0.914 . . . . 0.0 109.104 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.52 -19.16 74.36 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.08 35.63 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -74.87 -34.48 62.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.836 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -79.14 -26.62 42.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.64 -44.75 11.96 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.09 63.99 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.34 77.32 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -59.74 -32.83 70.92 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 122.772 0.429 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.31 -27.27 62.33 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.91 -43.69 98.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -71.68 -25.45 62.11 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.909 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.53 -54.9 17.05 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.577 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -75.34 -21.78 77.07 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.3 -60.43 2.99 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.65 -47.54 80.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.31 -40.52 78.05 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -57.92 -45.47 86.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.57 -45.94 77.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -66.62 -63.34 1.09 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 O-C-N 123.4 0.438 . . . . 0.0 110.725 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.14 -48.91 49.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.08 -40.93 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.257 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -51.43 26.2 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.47 -45.24 56.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.647 0.592 . . . . 0.0 110.87 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.79 -44.78 96.38 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -30.59 68.31 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -38.17 89.1 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.3 -43.33 77.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.189 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.9 -40.57 46.88 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.99 -30.62 70.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.79 -67.43 0.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.08 -30.55 66.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.74 -24.82 76.63 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -40.64 25.56 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.684 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.06 -49.67 76.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.31 -45.81 83.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.475 0.71 . . . . 0.0 112.675 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.98 -64.28 0.89 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.775 0.321 . . . . 0.0 110.618 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -18.6 11.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.684 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.22 -48.1 13.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.85 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.87 -28.81 65.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.405 0.282 . . . . 0.0 111.41 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.17 -49.52 5.89 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.98 -47.11 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.06 96.78 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.56 -24.59 49.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.13 -138.3 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.03 101.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -177.04 -92.13 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 166.05 -37.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.39 -48.1 81.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.301 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.96 -52.32 66.0 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 122.051 0.14 . . . . 0.0 110.735 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -51.34 39.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.427 0.455 . . . . 0.0 110.666 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.626 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.6 -47.93 66.6 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 123.314 0.384 . . . . 0.0 109.975 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.51 -39.36 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.13 -42.31 99.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.04 -45.85 61.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.05 0.844 . . . . 0.0 109.598 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -49.71 68.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.59 -35.52 76.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.49 -56.14 23.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.87 -47.77 4.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.382 1.051 . . . . 0.0 110.781 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -53.38 -46.16 69.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.817 0.28 . . . . 0.0 110.857 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -64.61 -43.36 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.98 66.57 2.84 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 101.757 -3.423 . . . . 0.0 101.757 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.23 -42.05 6.27 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.239 0.472 . . . . 0.0 112.098 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.4 -62.29 1.46 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.09 -45.3 64.78 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.1 -50.19 71.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.99 -38.87 56.18 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.08 -66.15 0.45 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.96 -35.8 3.06 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 123.921 0.763 . . . . 0.0 111.224 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.67 -74.51 0.31 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.34 -46.26 12.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 124.249 0.617 . . . . 0.0 111.222 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.67 71.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.66 -47.79 70.04 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -62.14 -35.05 77.58 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.986 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.85 -49.73 65.2 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.7 -37.22 62.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.366 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.2 -64.38 4.06 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.35 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.04 67.44 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 123.207 0.432 . . . . 0.0 112.21 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.31 -32.24 72.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 117.556 0.678 . . . . 0.0 109.935 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.9 -46.02 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -72.25 -38.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.82 -54.97 41.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.662 ' HB1' ' CB ' ' A' ' 106' ' ' ALA . . . -66.84 -56.91 8.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.615 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -51.28 -49.86 60.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.509 0.324 . . . . 0.0 111.736 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -65.08 -51.59 60.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.47 12.95 0.1 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.28 102.68 0.67 Allowed Glycine 0 C--N 1.337 0.634 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.61 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . 171.41 67.73 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.43 58.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 -32.68 35.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.662 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -71.14 -33.13 69.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.615 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -65.45 -66.32 0.56 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.75 62.63 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.029 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.1 -59.54 2.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.938 0.369 . . . . 0.0 111.585 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.527 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -59.55 -48.52 81.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 109.875 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.41 -22.6 66.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.0 -34.64 64.26 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.52 -43.9 96.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.534 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -67.35 -28.03 67.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 -55.34 16.52 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.12 -20.1 76.19 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.23 -60.34 2.28 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.0 -46.82 82.83 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.22 -59.47 4.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.89 -61.24 1.82 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 123.573 0.546 . . . . 0.0 111.831 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.0 -61.07 2.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -52.9 -56.96 12.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 123.17 0.588 . . . . 0.0 111.909 -179.148 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.79 -32.03 46.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -65.73 -52.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.797 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.8 -50.73 40.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.77 -49.16 58.87 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 123.647 0.592 . . . . 0.0 111.026 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.66 -39.59 88.93 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.3 -32.1 70.9 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.37 -39.33 94.24 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.16 -41.19 99.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.833 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -63.31 -27.44 69.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.66 -39.46 67.1 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.17 -38.16 89.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.27 -64.22 1.02 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.4 -31.45 63.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.67 -75.2 0.29 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.53 -42.53 1.95 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 124.26 0.933 . . . . 0.0 114.67 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -61.69 -54.72 38.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.656 1.728 . . . . 0.0 108.823 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.5 -52.64 21.45 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.594 0.758 . . . . 0.0 113.009 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.91 -52.75 58.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.39 -26.25 66.36 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.048 0.451 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.435 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.16 -35.32 36.7 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.6 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.57 -59.04 3.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.238 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.78 97.12 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.139 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.46 -33.86 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 118.105 0.952 . . . . 0.0 108.957 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.97 64.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.56 -15.99 55.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.572 0.349 . . . . 0.0 110.202 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -140.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.421 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 178.17 60.45 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -143.33 -99.4 0.12 Allowed 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 123.919 0.762 . . . . 0.0 109.06 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 170.73 -37.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.93 -55.13 29.79 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.565 0.346 . . . . 0.0 111.761 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.73 65.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.303 0.241 . . . . 0.0 111.289 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.39 -55.51 12.75 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.447 0.467 . . . . 0.0 110.889 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.08 -52.34 44.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.246 0.341 . . . . 0.0 111.174 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -62.05 -37.09 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 120.58 0.228 . . . . 0.0 111.085 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.83 -44.35 93.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -50.57 -44.44 56.75 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.037 0.835 . . . . 0.0 109.453 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -54.42 -51.3 65.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.96 -32.44 72.87 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.15 -57.56 11.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.98 -42.37 1.36 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 125.104 1.502 . . . . 0.0 109.295 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.88 -45.98 82.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.738 -0.602 . . . . 0.0 111.079 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.3 -44.48 83.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.57 84.65 3.25 Favored 'General case' 0 CA--C 1.514 -0.406 1 N-CA-C 98.263 -4.717 . . . . 0.0 98.263 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.735 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.55 -37.32 12.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.56 0.344 . . . . 0.0 111.815 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -64.91 -44.65 88.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.622 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -61.8 -45.12 95.21 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.57 -48.23 77.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -49.77 -41.14 34.95 Favored Glycine 0 C--N 1.339 0.701 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.96 -65.65 0.53 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.188 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.31 -36.07 0.31 Allowed 'General case' 0 C--N 1.342 0.271 0 O-C-N 125.084 1.49 . . . . 0.0 110.383 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.74 -72.19 0.64 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 106.259 -2.737 . . . . 0.0 106.259 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.6 -54.79 3.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 112.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.62 -53.54 45.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -38.86 74.31 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.86 -41.74 92.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.361 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.38 -57.25 13.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.282 0.233 . . . . 0.0 110.891 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 110' ' ' ALA . . . -68.29 -32.18 72.14 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.72 -65.96 3.13 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.94 -39.42 96.48 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -25.3 62.07 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 117.775 0.787 . . . . 0.0 110.564 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.404 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -73.85 -39.53 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -68.47 -33.27 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . -69.26 -46.01 68.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.824 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.788 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -77.49 -29.66 52.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.764 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -66.42 -49.2 67.54 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.75 -59.52 2.74 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 97' ' ' ALA . . . -75.02 158.13 33.73 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.603 0.239 . . . . 0.0 110.431 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -52.09 90.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.788 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 176.42 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.37 -23.04 57.42 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.92 -69.53 0.3 Allowed 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -62.96 -10.89 15.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . . . -77.99 -34.31 50.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.55 42.43 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 108.376 -1.889 . . . . 0.0 108.376 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.7 62.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.639 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.02 -50.33 62.44 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -71.01 -24.49 62.38 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -66.82 -45.29 78.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.33 -39.61 94.25 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.594 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -59.78 -40.66 89.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.22 -51.77 56.09 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -54.44 -69.42 1.25 Allowed Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.98 -67.45 0.28 Allowed 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.11 -68.08 0.36 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -50.49 -66.74 0.34 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.944 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -47.3 -52.74 15.43 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 123.685 0.616 . . . . 0.0 111.323 -178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.496 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . -37.76 -63.05 0.49 Allowed 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 114.515 -2.659 . . . . 0.0 105.163 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -60.77 -70.5 0.18 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 127.73 3.144 . . . . 0.0 111.903 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 102.88 -3.007 . . . . 0.0 102.88 173.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.425 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.41 -45.9 61.57 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.12 -39.16 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.88 -48.93 56.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.56 -44.45 69.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 123.476 0.485 . . . . 0.0 110.023 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.88 99.45 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.41 -29.26 68.86 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.57 -38.73 92.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.73 73.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -57.4 -27.37 62.3 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.45 -39.61 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.73 -27.85 67.95 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.35 -68.45 0.39 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.38 -31.74 67.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.75 71.84 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.36 -40.3 33.76 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.26 -51.36 69.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.56 -38.08 71.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.893 0.477 . . . . 0.0 110.721 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.97 -66.38 0.55 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.352 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -54.7 -22.71 14.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.927 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.683 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.21 -43.74 20.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.92 -32.82 65.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.81 4.73 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 108.546 -1.822 . . . . 0.0 108.546 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -59.44 -45.75 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -58.72 -41.07 85.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.177 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -71.13 -30.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -136.48 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -173.58 78.74 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.75 -160.23 0.95 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.72 -26.69 0.73 Allowed 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.928 0.767 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -61.6 -45.85 92.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.44 81.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.34 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.76 58.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.266 0.354 . . . . 0.0 110.972 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -55.24 -47.63 75.1 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.98 -42.66 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.57 -42.04 98.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -50.99 -53.48 32.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.736 0.648 . . . . 0.0 110.523 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.32 -44.71 65.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.37 -48.25 82.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.58 -63.01 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.261 0.625 . . . . 0.0 112.005 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.847 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -49.43 -48.25 47.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.43 -52.16 42.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.44 -69.78 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.5 -40.93 98.36 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -175.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.847 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.501 ' C ' ' N ' ' A' ' 79' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.8 -13.77 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.184 0.927 . . . . 0.0 108.759 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 77' ' ' ASN . . . -74.19 -43.13 58.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -65.04 -49.89 68.34 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.96 -48.7 77.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.19 -39.41 42.32 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.55 -66.93 0.31 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.691 -0.671 . . . . 0.0 109.26 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.81 -34.92 0.29 Allowed 'General case' 0 C--N 1.343 0.311 0 O-C-N 124.526 1.141 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.2 -70.9 0.84 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 106.375 -2.69 . . . . 0.0 106.375 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.64 -52.34 8.27 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.373 0.69 . . . . 0.0 111.724 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.08 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.424 0.289 . . . . 0.0 110.823 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.92 -49.15 66.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.2 -33.63 72.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.365 0.266 . . . . 0.0 111.062 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.41 -53.81 53.91 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.725 0.693 . . . . 0.0 110.229 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.533 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -72.0 -35.23 69.41 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.706 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.88 -61.8 6.95 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.78 93.38 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.5 -29.78 66.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 117.791 0.796 . . . . 0.0 109.07 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -66.03 -44.7 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.567 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . . . -63.94 -33.6 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.1 96.76 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 106' ' ' ALA . . . -66.31 -36.32 82.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 37' ' ' LYS . . . -58.67 -52.84 63.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.35 -49.84 73.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -14.97 14.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.344 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.97 20.83 72.45 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.629 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -87.56 89.18 7.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.74 -29.69 67.75 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.5 -29.24 37.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.848 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . . . -76.89 -29.49 55.8 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -67.92 -63.8 0.99 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -58.37 -30.66 65.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.96 -58.51 3.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.828 0.314 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -63.44 -48.22 78.64 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.18 -25.79 67.88 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.579 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -71.82 -35.73 70.02 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.55 -43.63 98.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.533 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -64.05 -29.65 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.58 11.83 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -67.08 -19.47 70.05 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.85 -65.0 0.82 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.82 -49.1 77.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.953 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.68 -68.06 0.21 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.253 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -52.16 -29.52 22.53 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 123.131 0.269 . . . . 0.0 111.445 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -62.87 -48.92 76.92 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.37 -41.8 60.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.399 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 123.288 0.635 . . . . 0.0 111.529 -179.598 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.61 -51.32 28.95 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.57 -42.44 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.391 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.07 -51.46 31.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.38 -46.91 62.97 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 123.63 0.581 . . . . 0.0 110.9 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.41 -41.91 97.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -29.85 67.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.47 -38.55 90.13 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -66.04 -46.81 76.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.177 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.49 -28.54 65.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.67 -41.01 65.84 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -63.01 -34.46 77.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.23 -65.8 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.92 -38.34 70.13 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.55 -21.8 74.74 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.55 -40.26 27.89 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.36 -49.52 76.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.28 -53.21 37.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.4 0.68 . . . . 0.0 112.524 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.39 -57.03 14.5 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.855 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -22.3 59.79 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.778 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.31 -42.54 22.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.819 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.04 -36.87 64.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.613 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.35 -50.23 6.83 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -60.58 -33.66 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -64.07 -41.79 97.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -73.61 -26.49 60.82 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -143.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.164 0.186 . . . . 0.0 111.373 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -135.81 -61.12 0.72 Allowed 'General case' 0 C--N 1.34 0.192 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -48.93 174.93 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.072 0.549 . . . . 0.0 111.908 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 103' ' ' ASP . . . -116.71 -4.78 11.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.967 0.907 . . . . 0.0 110.21 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -57.14 -48.18 79.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -62.26 -52.17 64.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB2' ' HA2' ' A' ' 104' ' ' GLY . . . -49.59 -53.91 21.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.84 0.456 . . . . 0.0 111.113 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.85 -45.37 70.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -34.45 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.0 -44.72 79.62 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.59 -45.66 66.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.015 0.822 . . . . 0.0 109.374 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.1 66.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.47 -36.26 81.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.51 -66.11 0.47 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.86 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -41.32 -40.92 1.8 Allowed 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 124.62 1.2 . . . . 0.0 110.214 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -55.5 -42.08 73.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.642 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.55 -45.55 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.522 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -70.47 -29.89 66.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.86 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.611 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.68 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.13 -30.71 2.02 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.155 0.909 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.99 -53.75 34.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.9 -49.32 78.24 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.32 -55.72 25.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.37 -37.66 40.11 Favored Glycine 0 C--N 1.337 0.602 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -65.31 0.59 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.45 -36.72 3.04 Favored 'General case' 0 C--O 1.226 -0.149 0 O-C-N 123.961 0.788 . . . . 0.0 111.183 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.26 -72.97 0.46 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -43.71 -46.3 7.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.631 0.842 . . . . 0.0 110.992 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.25 67.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.223 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.8 -52.25 42.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.44 -36.9 79.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.935 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.03 -52.95 37.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.999 0.428 . . . . 0.0 110.013 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.48 -34.46 63.11 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.417 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.19 -67.42 2.22 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.96 93.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.59 75.59 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.42 -45.0 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 122.933 0.493 . . . . 0.0 110.673 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -66.41 -35.17 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.42 22.35 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.372 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -71.59 -38.65 70.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.187 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.519 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -57.27 -56.01 27.35 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -54.33 -49.45 69.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.15 -18.26 50.23 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -111.08 -120.39 4.03 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.729 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . . . -179.83 -162.38 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.52 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -50.26 -30.92 18.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.7 -75.33 0.08 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.69 0.281 . . . . 0.0 111.399 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.37 94.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.488 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -64.21 -47.48 79.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.281 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.36 -34.9 82.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.98 -58.68 3.78 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.187 0.518 . . . . 0.0 109.791 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.28 -37.16 74.46 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.58 -29.2 68.5 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.053 0.541 . . . . 0.0 111.606 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.91 -30.8 61.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.79 -49.45 70.64 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -59.73 -36.71 77.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.04 -86.35 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.79 -33.29 0.39 Allowed Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.579 0.609 . . . . 0.0 113.706 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -61.93 -61.5 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 117.798 0.799 . . . . 0.0 109.433 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -58.72 -40.9 85.08 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.38 -41.65 94.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.33 88.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.8 -44.58 86.43 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.91 -71.14 0.09 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -76.18 -43.22 43.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.42 -41.08 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.11 -51.59 20.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.03 -45.52 61.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.558 0.537 . . . . 0.0 110.794 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.89 -44.08 97.59 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.46 -28.58 67.12 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.93 -38.5 91.18 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.48 -42.45 92.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.39 -26.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.82 -32.95 57.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -74.03 -27.86 61.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.34 -65.9 0.62 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -63.51 -28.41 69.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -32.74 62.55 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.85 -40.09 26.84 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.4 -53.32 59.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.35 -47.99 74.89 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.819 0.847 . . . . 0.0 113.285 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.73 -61.92 1.99 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.649 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -22.98 53.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.631 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -78.86 -47.64 16.17 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.298 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.45 -32.56 70.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.598 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.3 -54.29 3.83 Favored Glycine 0 C--N 1.336 0.554 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.19 -44.32 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -64.9 -35.01 79.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.611 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -78.59 -21.2 48.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.25 -136.78 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 179.18 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -176.19 -92.64 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.456 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 165.17 -35.69 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.61 -47.13 82.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.24 60.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.013 0.125 . . . . 0.0 110.734 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -52.47 34.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.367 0.417 . . . . 0.0 111.064 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.0 -46.33 61.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.371 0.419 . . . . 0.0 110.135 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -61.03 -35.67 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.56 -43.17 90.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.26 -41.56 60.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.011 0.819 . . . . 0.0 108.922 177.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -56.57 -52.22 65.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.98 -33.45 71.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -56.22 -63.48 1.17 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.45 -41.22 0.94 Allowed 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 125.205 1.565 . . . . 0.0 110.505 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -58.59 -45.75 88.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.104 -0.373 . . . . 0.0 110.488 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -69.04 -52.41 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -73.71 67.78 1.19 Allowed 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 100.593 -3.855 . . . . 0.0 100.593 176.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 -175.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 119.574 -0.25 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.4 -41.55 13.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 123.576 0.548 . . . . 0.0 112.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.94 -55.25 31.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.27 -42.55 70.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.274 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.65 -51.51 68.43 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.09 -38.37 47.68 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -64.74 0.73 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.29 -35.8 2.48 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 124.075 0.859 . . . . 0.0 111.227 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -69.88 1.11 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 107.293 -2.323 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.31 -46.01 17.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.724 0.896 . . . . 0.0 110.472 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.11 -53.51 49.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.131 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.94 -45.53 74.87 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.63 -43.21 89.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.391 0.432 . . . . 0.0 110.439 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.16 -46.04 53.81 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 123.808 0.693 . . . . 0.0 109.719 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -32.46 62.72 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.064 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.51 -66.23 2.99 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.896 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.24 -38.01 93.42 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.29 87.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 117.112 0.456 . . . . 0.0 110.048 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.31 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.43 -36.29 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.98 21.14 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -71.12 -48.35 52.64 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.683 0.278 . . . . 0.0 111.113 -178.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.47 57.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.72 -21.31 18.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . -64.7 -100.87 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.99 -62.96 1.93 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.428 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.38 -151.03 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 117.43 0.615 . . . . 0.0 111.54 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.1 -20.88 1.52 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.165 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -73.62 0.11 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.964 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.34 -37.83 75.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -58.46 -51.58 69.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.05 -41.28 94.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.13 -64.02 1.06 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.58 90.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.252 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.05 -17.69 64.85 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.333 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.93 -32.71 40.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.27 -42.84 92.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.444 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.91 -30.22 66.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.71 -54.37 31.78 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.77 -20.55 76.16 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.33 -63.62 1.24 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.77 -42.63 81.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.264 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.67 -61.13 2.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.156 0.182 . . . . 0.0 110.98 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.99 66.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.032 0.207 . . . . 0.0 110.515 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.18 -44.42 67.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -76.64 -56.53 4.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.109 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 C-N-CA 122.266 0.226 . . . . 0.0 110.814 -179.125 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.97 -49.08 40.36 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.59 -31.3 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.23 -52.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.92 -43.17 49.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.691 0.619 . . . . 0.0 110.803 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.4 -46.6 89.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.31 -30.42 68.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.48 -36.98 84.2 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.99 -41.76 73.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.35 -25.8 66.11 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.81 -42.51 33.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.67 -27.44 66.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.39 -67.02 0.48 Allowed 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.83 -28.42 67.46 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.81 -35.98 73.81 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.1 -40.33 83.17 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.72 -53.21 60.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.84 -48.83 63.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.52 -59.98 3.68 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.37 26.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.848 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -77.98 -47.27 18.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.628 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -66.27 -36.61 83.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.87 -49.38 7.77 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.486 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . . . -62.84 -52.62 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.07 84.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.685 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.01 -19.0 48.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.655 0.207 . . . . 0.0 110.558 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -140.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.5 106.16 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 173.7 -89.85 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 167.24 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.16 -44.85 90.82 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 27' ' ' VAL . . . -57.71 -53.57 56.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.79 -48.81 40.93 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.612 0.57 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.94 -47.1 68.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -54.75 -40.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.78 -41.76 98.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -50.99 -45.92 61.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.835 0.709 . . . . 0.0 110.219 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.5 -54.84 41.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.95 -34.86 72.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.07 -62.31 1.74 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.56 -42.77 1.2 Allowed 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 125.219 1.575 . . . . 0.0 110.827 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.6 -45.21 89.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.807 -0.558 . . . . 0.0 110.343 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.65 -42.36 83.2 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 123.006 0.522 . . . . 0.0 111.373 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.31 68.73 3.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 101.476 -3.527 . . . . 0.0 101.476 172.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.044 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.85 -172.602 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.84 -33.35 4.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 124.104 0.877 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.47 -60.1 2.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.656 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -53.61 -45.41 70.07 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.19 -44.83 79.8 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.95 -38.54 85.46 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.769 -1.733 . . . . 0.0 108.769 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -64.62 0.77 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.715 0.258 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -50.91 -38.5 50.33 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -63.92 3.88 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 106.83 -2.508 . . . . 0.0 106.83 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.67 -40.44 39.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.749 -0.725 . . . . 0.0 109.72 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -55.11 -53.49 55.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.156 0.503 . . . . 0.0 111.153 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.547 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.59 -39.43 73.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.29 -41.96 85.54 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.31 -36.97 45.06 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.225 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.768 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -75.8 -36.75 59.63 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.201 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.22 -66.49 2.59 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.012 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.04 -35.92 84.89 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.64 -45.78 73.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 117.107 0.454 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.81 -41.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.15 -50.48 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.94 88.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.949 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.94 -41.63 83.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.459 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -46.0 81.92 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.56 -46.53 70.28 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -106.56 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.47 -157.2 27.93 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 66.5 140.68 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.11 -7.63 88.35 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.71 -61.74 1.65 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.44 83.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -70.37 -20.94 62.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.85 -51.42 4.8 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.2 86.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.17 21.47 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.165 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.51 -24.97 65.73 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.57 -36.24 44.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.41 -45.42 80.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.768 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -69.73 -28.46 65.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.571 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.21 67.25 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.51 -25.8 67.04 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.96 -54.11 17.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.59 -49.04 70.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.65 -55.01 34.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.36 -41.28 60.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.358 0.411 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.54 -52.55 61.7 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -64.25 -43.66 94.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.22 -53.34 14.74 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.76 -39.26 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.89 -48.32 54.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.29 -45.99 62.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 123.674 0.609 . . . . 0.0 110.721 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.81 -42.79 98.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.35 -32.31 69.99 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.37 -38.48 87.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.05 -43.43 82.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.015 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.18 -24.99 65.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.32 -37.37 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -28.5 65.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.23 -67.34 0.47 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.49 -32.17 70.02 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.29 -23.05 78.18 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.26 22.43 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.02 -49.56 76.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.04 -45.47 79.18 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.58 0.752 . . . . 0.0 112.193 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.46 -61.43 2.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -20.81 18.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.504 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.616 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.46 -41.81 23.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.971 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.29 -33.44 61.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.0 -47.21 8.65 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 107.187 -2.365 . . . . 0.0 107.187 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.48 -37.56 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -58.71 -41.71 86.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.12 -73.81 0.23 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.2 62.1 4.05 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.166 0.586 . . . . 0.0 110.394 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -71.28 -175.66 1.29 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 175.22 -62.81 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.79 -48.78 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.58 -48.51 79.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.568 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.52 -54.02 51.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.05 0.14 . . . . 0.0 111.042 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.95 24.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.388 0.43 . . . . 0.0 111.338 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.35 -46.98 69.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.029 0.205 . . . . 0.0 110.658 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -38.17 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.628 0.251 . . . . 0.0 110.979 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.55 -44.27 82.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -52.98 -46.03 68.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 123.872 0.732 . . . . 0.0 109.91 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.43 71.05 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.65 -39.66 89.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -52.97 -67.19 0.27 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.291 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.9 -42.54 3.73 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 124.272 0.982 . . . . 0.0 111.816 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.0 -40.75 77.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -73.31 -45.74 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.96 -61.46 2.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.287 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.435 0 C-N-CA 122.94 0.496 . . . . 0.0 111.264 -178.396 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -50.64 -39.3 50.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.491 0.316 . . . . 0.0 110.359 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -58.96 -50.39 74.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.59 -37.78 68.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.413 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.15 -50.72 70.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.07 -38.96 48.67 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.04 -66.88 0.32 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 119.093 -0.48 . . . . 0.0 109.794 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -42.34 -36.24 1.21 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.248 0.968 . . . . 0.0 111.244 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.82 -72.04 0.62 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.03 -48.34 11.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.368 0.687 . . . . 0.0 111.426 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.16 -50.49 61.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.509 0.324 . . . . 0.0 110.604 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.21 -42.13 76.7 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.65 -42.04 91.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.192 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.73 -47.6 59.23 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.248 0.546 . . . . 0.0 109.601 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -71.06 -35.47 71.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.465 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.61 -67.84 2.0 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.889 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.78 -37.82 92.62 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.14 -35.29 79.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 117.496 0.648 . . . . 0.0 110.348 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.53 -44.07 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -60.99 -37.91 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.95 -50.3 73.04 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.81 71.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . . . -58.58 -52.46 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.32 -53.34 24.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.69 -23.19 16.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.73 16.3 80.26 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -81.69 87.32 6.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.05 -29.68 56.13 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.41 37.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.566 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -75.51 -40.55 56.92 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.757 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -77.96 -25.73 48.36 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.61 -46.76 11.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.11 71.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.36 60.43 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.91 -28.32 69.44 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.055 0.389 . . . . 0.0 111.152 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.42 -32.08 64.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.14 -42.64 98.91 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.402 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -72.2 -26.77 62.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.1 -56.05 18.18 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -75.08 -19.37 79.89 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.62 -64.75 0.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.16 -48.12 83.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.45 -49.46 72.42 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -55.04 -39.0 68.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.69 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.79 -54.82 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.143 0.177 . . . . 0.0 111.214 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.11 -56.41 8.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.87 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.25 -54.78 15.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.4 -35.77 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.262 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.22 -51.2 32.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.29 -46.58 46.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 123.787 0.679 . . . . 0.0 111.131 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.67 -44.79 96.06 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.89 -30.14 67.54 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.04 -38.62 91.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.57 -42.51 78.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.233 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.45 -26.1 66.5 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.22 -39.46 48.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.12 -29.75 68.74 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.87 -67.24 0.47 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.1 -31.65 69.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -21.94 78.76 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.4 -40.69 18.55 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.536 -1.825 . . . . 0.0 108.536 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.749 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.62 -47.53 84.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.39 -46.87 82.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.433 0.693 . . . . 0.0 112.483 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.73 -64.83 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 110.786 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.78 -20.21 14.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.749 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.24 -43.28 21.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.771 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.26 -33.46 67.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.142 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.18 -47.19 11.37 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.061 -2.016 . . . . 0.0 108.061 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.26 -36.76 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -58.9 -43.76 91.09 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.146 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.93 -74.31 0.23 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.38 61.76 6.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 122.909 0.483 . . . . 0.0 110.112 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -73.41 -175.93 2.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.605 0.24 . . . . 0.0 110.484 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 172.98 -60.16 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 169.26 -49.36 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.553 0.533 . . . . 0.0 109.701 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.78 -48.0 76.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.718 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.61 31.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 122.036 0.135 . . . . 0.0 111.278 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.98 -53.13 35.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.575 0.35 . . . . 0.0 111.235 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.61 -46.93 67.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.044 0.215 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -64.36 -33.17 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.522 0.201 . . . . 0.0 110.781 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.68 -46.57 62.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.48 -43.37 75.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.818 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.72 78.04 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.37 -41.1 88.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.63 -64.22 0.89 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.28 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -48.59 -40.47 27.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -74.07 -47.55 35.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.456 0.571 . . . . 0.0 111.954 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.3 -66.22 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.49 -38.54 91.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.16 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 111.218 0.081 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.28 -44.14 16.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.736 0.648 . . . . 0.0 112.259 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.44 -63.48 1.06 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -51.48 -46.74 63.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.63 -45.66 77.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.84 -39.55 77.96 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.5 -65.63 0.53 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.318 -0.373 . . . . 0.0 110.252 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -47.27 -35.75 8.23 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 123.893 0.746 . . . . 0.0 109.984 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.02 -65.52 3.18 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 106.57 -2.612 . . . . 0.0 106.57 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.89 -44.38 39.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.39 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -52.2 -52.74 50.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.533 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.2 -39.85 73.07 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.99 -41.62 83.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.62 -38.54 55.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.793 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -73.58 -36.54 65.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.36 -66.51 2.75 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 113.863 -1.517 . . . . 0.0 109.832 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.31 -39.31 96.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.15 -45.79 72.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 117.252 0.526 . . . . 0.0 110.495 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -64.09 -40.36 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.24 -50.94 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.43 73.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.017 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.24 68.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -55.62 -48.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.93 -38.63 57.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.417 0.448 . . . . 0.0 110.272 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.12 -104.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.17 -53.56 0.24 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.88 129.33 3.48 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.28 -4.94 89.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.19 -44.29 18.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.05 -32.51 63.34 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.104 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.78 -62.47 1.85 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.94 93.07 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.19 -58.84 4.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.6 74.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.74 -22.17 66.06 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.619 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.68 -34.08 40.59 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.22 -42.39 95.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.793 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.97 -28.64 66.81 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.25 87.03 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.09 -23.62 61.06 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -66.54 -54.86 19.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.27 -46.8 79.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.81 -47.21 80.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.74 80.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.76 -47.15 74.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.406 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.88 -58.92 2.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.798 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 122.509 0.323 . . . . 0.0 110.83 -179.494 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.26 -40.93 58.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.96 -42.67 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.465 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.67 -52.92 17.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.58 -45.64 48.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.658 0.599 . . . . 0.0 111.003 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.18 95.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -28.41 66.77 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.71 -38.35 90.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.44 78.0 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.17 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.7 -26.64 68.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.03 -40.5 53.32 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.93 -26.07 64.9 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -67.37 -69.07 0.33 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.45 -28.63 68.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.42 -21.96 79.08 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.3 -39.77 18.0 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.034 -2.026 . . . . 0.0 108.034 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.53 -48.17 81.74 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.23 -43.76 92.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.381 0.673 . . . . 0.0 112.176 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.54 -61.11 2.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 39' ' ' GLU . . . -57.75 -21.44 41.29 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.541 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.42 -43.86 20.27 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.43 -32.78 71.96 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.595 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.18 -47.42 7.01 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.397 -1.881 . . . . 0.0 108.397 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.27 -39.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.77 97.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.376 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -35.04 79.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.48 -125.33 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -121.64 -103.65 0.39 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 172.13 98.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -157.26 -105.56 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -67.32 -49.45 64.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.99 62.1 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.11 0.164 . . . . 0.0 111.045 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.11 -49.97 62.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.17 0.294 . . . . 0.0 110.631 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.77 -44.16 69.8 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.096 0.248 . . . . 0.0 110.392 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.51 -32.14 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.819 -0.173 . . . . 0.0 110.739 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' CB ' ' HB1' ' A' ' 23' ' ' ALA . . . -71.58 -46.53 59.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -54.92 -40.35 69.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.703 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.98 74.15 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.4 -43.52 92.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.46 -58.39 7.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.03 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 1.314 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -51.2 -39.13 55.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -78.46 -50.28 11.94 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -75.66 -63.15 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -54.77 -24.76 24.02 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.045 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.314 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 C--N 1.341 0.208 0 C-N-CA 123.692 0.797 . . . . 0.0 112.438 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.41 -34.73 2.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 123.985 0.803 . . . . 0.0 111.804 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.96 -54.08 21.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.645 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.14 -49.72 73.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.94 -48.63 75.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.54 -39.3 59.98 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -66.18 0.43 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 119.17 -0.443 . . . . 0.0 109.997 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.8 -35.25 1.83 Allowed 'General case' 0 C--N 1.34 0.192 0 O-C-N 124.179 0.924 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.48 1.63 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.4 -47.08 37.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.958 -0.621 . . . . 0.0 110.959 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.37 50.42 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.335 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.86 -37.86 71.9 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.667 0.604 . . . . 0.0 110.652 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.17 -43.51 61.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.53 0.681 . . . . 0.0 109.422 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.06 -33.86 63.83 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.587 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.53 -64.81 4.03 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.262 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.66 -36.52 87.92 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -56.48 -38.01 71.14 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.546 0.673 . . . . 0.0 110.161 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.51 -41.95 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.472 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.74 -50.82 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.57 64.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.627 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.27 66.96 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -56.35 -50.94 70.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -73.54 -51.24 17.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.39 -27.29 46.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.01 78.76 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -84.55 85.52 7.41 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -26.36 56.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.76 -31.57 35.83 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.543 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -74.79 -36.51 62.5 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.181 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.72 40.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 122.756 0.423 . . . . 0.0 110.389 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.21 12.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -65.09 -57.02 9.68 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.469 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.42 -26.59 66.82 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.93 -33.13 59.85 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -58.53 -42.37 87.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.68 -26.78 57.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.24 -57.6 14.75 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.93 -17.62 76.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.85 -55.66 12.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.22 -45.06 86.25 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.78 -46.76 84.13 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.77 74.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.74 -50.38 72.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.06 -61.62 1.84 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.376 0 O-C-N 123.49 0.494 . . . . 0.0 110.809 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.29 -37.12 45.59 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.49 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.5 -47.82 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.707 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.38 -50.29 40.36 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.12 -49.11 61.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.504 0.502 . . . . 0.0 111.19 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.15 -32.02 70.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.73 -38.88 92.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.79 -45.52 92.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.064 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.15 -29.15 67.21 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -71.27 -38.49 71.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.49 -38.52 91.32 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.62 -64.69 0.85 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.29 -34.93 64.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.57 -72.17 0.63 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.71 -43.4 2.3 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 124.48 1.038 . . . . 0.0 114.142 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -59.25 -53.04 62.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 118.953 1.376 . . . . 0.0 108.078 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.75 -49.28 65.8 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.083 0.553 . . . . 0.0 111.922 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.13 -60.21 3.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.521 0.328 . . . . 0.0 111.218 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -20.78 22.86 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.16 -47.12 15.22 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.711 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.85 -30.18 66.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.243 0.217 . . . . 0.0 111.514 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -50.47 5.45 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.54 -46.95 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.75 92.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.65 -21.48 52.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -140.79 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.62 65.27 0.31 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -158.21 -157.9 0.67 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.87 -22.07 0.79 Allowed 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.922 0.764 . . . . 0.0 110.073 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.61 -47.14 85.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.99 75.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -50.23 56.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.342 0.401 . . . . 0.0 110.576 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.77 -46.25 67.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -60.25 -35.0 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.86 -44.34 85.71 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.33 -44.95 62.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.124 0.89 . . . . 0.0 109.11 177.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -53.31 -49.37 67.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.22 -34.87 77.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.94 -56.74 16.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -43.42 -45.29 6.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.324 1.015 . . . . 0.0 110.034 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -55.87 -48.55 75.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.556 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.91 -45.8 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.66 67.26 4.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 101.767 -3.42 . . . . 0.0 101.767 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.73 -31.03 2.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 124.145 0.903 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.78 -61.99 1.68 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.57 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.54 -42.62 74.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.51 -49.5 72.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.14 -37.89 55.27 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.82 -66.71 0.35 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 119.097 -0.478 . . . . 0.0 109.994 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.47 -34.55 1.36 Allowed 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.932 0.77 . . . . 0.0 110.845 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.81 -70.1 1.06 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 106.723 -2.551 . . . . 0.0 106.723 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.06 -48.66 16.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.387 0.698 . . . . 0.0 111.294 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.02 63.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.911 0.386 . . . . 0.0 110.475 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.24 -46.19 69.06 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.85 -37.75 80.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.95 -49.45 63.15 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.04 -36.32 69.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.932 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.89 -67.84 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.642 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.85 -37.71 94.64 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.59 -34.06 76.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 117.562 0.681 . . . . 0.0 110.032 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.67 -45.25 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -65.7 -37.31 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.91 28.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.5 67.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -63.69 -51.66 64.07 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.39 -39.25 60.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.3 -104.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 175.25 26.68 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.418 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -96.48 88.12 4.61 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.558 0.743 . . . . 0.0 109.582 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.17 56.74 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.01 37.34 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.698 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -76.56 -35.68 58.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.487 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -78.27 -29.32 47.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.14 -45.89 9.76 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.78 65.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.698 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.2 -50.3 70.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -59.96 -31.16 69.63 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 122.466 0.306 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.72 -30.04 63.86 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.27 -46.05 90.53 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -66.78 -25.96 66.73 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.62 36.15 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -69.41 -23.36 76.49 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -70.05 -56.06 7.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -60.46 -51.38 69.69 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.64 -44.07 76.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -53.0 -47.21 68.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.221 0.325 . . . . 0.0 110.288 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.27 -51.81 66.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.64 -40.05 82.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.43 -40.4 61.98 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.8 -44.59 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.575 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.72 -52.97 15.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.95 -44.41 63.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.497 0.498 . . . . 0.0 110.521 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.82 99.51 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -27.49 67.25 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.25 -38.47 87.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.6 69.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.6 -25.3 66.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.01 -40.49 38.81 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.98 -23.1 63.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.429 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -70.7 -68.59 0.42 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.29 -31.65 67.68 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.73 72.16 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.05 -40.29 62.27 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.739 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.72 -48.72 80.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.219 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -53.13 -49.43 66.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.503 0.721 . . . . 0.0 112.529 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.49 -65.03 0.74 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.98 29.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.739 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -79.12 -37.2 39.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.728 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.67 -38.97 58.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.407 0.283 . . . . 0.0 111.299 -178.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.98 -46.73 21.5 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -58.02 -47.57 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.65 68.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.899 179.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.56 -33.05 75.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.18 -95.72 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -153.15 -102.18 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . 173.06 105.67 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.49 -106.38 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -69.09 -43.11 75.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.53 23.67 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 32' ' ' ASP . . . -49.97 -49.39 50.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.78 0.432 . . . . 0.0 111.253 -179.679 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.09 -44.07 78.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.08 -36.89 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -74.49 -51.08 15.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -53.62 -44.04 69.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.758 0.661 . . . . 0.0 109.501 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.3 91.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.07 -47.74 82.26 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.87 -55.34 31.49 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.064 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.851 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -48.74 -44.1 38.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.083 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -72.38 -48.6 40.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -80.45 -72.76 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.064 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -61.39 -37.51 83.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.044 -176.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.851 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.79 -35.45 22.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.448 0.467 . . . . 0.0 109.92 177.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.31 -53.97 49.92 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.56 -40.1 68.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.9 -48.61 75.34 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.11 62.76 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.08 14.11 Favored 'General case' 0 C--O 1.226 -0.147 0 O-C-N 123.573 0.545 . . . . 0.0 110.693 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.7 -70.2 0.98 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 177.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.27 -44.76 33.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 124.397 0.704 . . . . 0.0 110.756 177.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.0 -51.23 62.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.76 -42.87 68.69 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.14 -41.48 96.82 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.271 0.357 . . . . 0.0 110.417 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -49.66 -42.92 46.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.55 0.69 . . . . 0.0 109.147 178.227 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -75.82 -36.25 59.76 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.824 177.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.24 -66.43 2.73 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-N 114.018 -1.447 . . . . 0.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.06 -37.09 87.05 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -58.21 -40.0 80.47 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.37 -42.86 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.656 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . . . -57.88 -44.72 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.117 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.58 -53.37 57.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.325 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.56 67.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.754 ' HB2' ' CB ' ' A' ' 40' ' ' ALA . . . -55.13 -54.36 44.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -66.07 -50.35 64.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.66 -23.89 44.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.84 24.59 76.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -91.95 91.9 8.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.88 -22.62 66.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.23 29.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -71.11 -34.3 70.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.663 179.194 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.73 40.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.719 0.408 . . . . 0.0 110.44 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.55 -47.19 12.78 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 178.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.94 81.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -64.29 -57.83 8.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.927 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -56.86 -28.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 122.717 0.407 . . . . 0.0 111.702 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.48 -34.59 65.4 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -56.7 -43.41 80.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.347 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.441 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.01 -27.64 60.21 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.741 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.5 -58.33 8.74 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.46 -22.12 77.85 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.33 -55.98 11.63 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.52 -46.97 80.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.32 -50.66 69.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.27 -43.46 61.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.47 0.481 . . . . 0.0 110.135 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.43 -50.84 66.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.95 -41.58 98.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.666 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.28 -44.35 59.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.66 -38.9 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.424 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.01 -51.97 14.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.69 -44.05 62.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.422 0.451 . . . . 0.0 110.573 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.53 98.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.47 -27.98 66.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.37 -38.78 88.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.28 76.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.84 -22.51 64.29 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.062 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.06 -43.15 22.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.116 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.8 -22.78 66.59 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -75.77 -65.36 0.91 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.6 -37.66 70.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.01 56.68 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.97 96.59 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.32 -50.99 71.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -47.27 -52.07 17.16 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.477 0.711 . . . . 0.0 112.682 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.04 -61.09 2.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -40.81 66.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 110.2 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.429 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -67.62 -51.94 44.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -58.86 -42.38 89.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.99 6.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.94 -55.36 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -63.24 -27.94 69.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -59.54 -77.04 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -37.86 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 O-C-N 125.003 1.439 . . . . 0.0 111.154 178.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -148.8 -62.94 0.24 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 177.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.841 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . 73.6 -176.88 0.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.677 176.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 155.8 -73.86 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -79.43 -37.64 36.57 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.3 -57.31 5.48 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.322 179.131 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.841 ' HB2' ' CB ' ' A' ' 32' ' ' ASP . . . -53.97 -41.71 68.15 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.313 0.245 . . . . 0.0 110.546 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.675 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -59.36 -39.88 84.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -59.11 -35.83 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.68 -42.15 82.57 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -53.48 -44.19 68.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.23 0.956 . . . . 0.0 109.703 177.399 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.59 70.49 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.043 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -63.08 -46.11 88.96 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -50.79 -62.42 1.62 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.002 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -46.64 -45.36 19.11 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.777 0.673 . . . . 0.0 111.988 178.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.19 -39.62 66.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -74.88 -39.54 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.949 178.414 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -48.64 -48.11 39.83 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.595 0.758 . . . . 0.0 111.853 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.793 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.52 -23.26 0.92 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.701 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.17 -54.36 30.8 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.653 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.53 -42.92 88.85 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.14 -50.55 70.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.03 -37.65 54.33 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.075 -1.61 . . . . 0.0 109.075 178.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.56 -64.28 0.88 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.28 -35.6 5.44 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.565 0.541 . . . . 0.0 112.1 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.78 -68.19 1.82 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 107.879 -2.089 . . . . 0.0 107.879 177.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -47.1 -47.09 23.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.631 -0.785 . . . . 0.0 109.99 177.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.44 66.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.21 0.319 . . . . 0.0 110.921 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.41 -57.39 9.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.167 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.16 -54.85 42.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -39.55 -61.12 0.85 Allowed 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.832 1.333 . . . . 0.0 112.838 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -66.71 -22.79 66.06 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 111.963 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.51 -35.61 46.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.4 -35.45 47.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -68.23 -36.4 79.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -61.45 -46.73 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.626 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -64.16 -30.64 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -60.37 -53.05 62.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HB3' ' CA ' ' A' ' 107' ' ' PHE . . . -59.7 -33.3 71.42 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -55.68 -50.06 71.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.05 -46.42 71.16 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . . . -54.63 -24.81 23.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.454 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.27 -69.63 0.22 Allowed Glycine 0 C--N 1.339 0.734 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -36.14 106.15 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.063 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.16 -0.42 86.0 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 177.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.65 -44.83 18.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.28 -29.83 38.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.605 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.61 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . . . -73.48 -35.0 65.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.72 30.09 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.08 -42.45 56.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -67.87 -47.72 68.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.08 -22.77 66.43 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 122.405 0.282 . . . . 0.0 110.641 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.81 -28.6 44.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.54 -47.38 79.03 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -66.06 -31.0 71.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.124 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 119' ' ' LYS . . . -73.92 -35.0 55.0 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.285 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.82 -29.16 65.64 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.18 -56.17 9.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.06 -50.41 64.22 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 115' ' ' GLY . . . -53.56 -63.46 1.14 Allowed 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.484 0.314 . . . . 0.0 111.048 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.77 45.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.45 -51.55 66.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.56 -54.51 7.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.578 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 C-N-CA 122.45 0.3 . . . . 0.0 111.496 -178.77 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.37 -37.33 44.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.388 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.79 -45.5 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.736 -179.316 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.45 -48.25 56.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.57 -48.18 57.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.66 0.6 . . . . 0.0 111.168 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.592 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.7 -33.12 71.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.23 -38.33 86.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.41 -43.5 97.33 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.101 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.95 -27.24 66.63 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.04 -31.08 55.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.3 -39.28 71.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -61.66 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.41 -32.83 67.25 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.22 -77.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 108.489 -1.845 . . . . 0.0 108.489 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.9 -42.76 2.28 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.639 1.114 . . . . 0.0 115.228 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.76 -51.63 68.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.678 1.739 . . . . 0.0 108.287 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.32 -49.66 69.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.199 0.6 . . . . 0.0 112.196 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.89 -56.21 23.86 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -17.63 36.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.646 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.58 -47.03 14.76 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.535 -179.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.51 -30.16 62.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.323 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.43 -48.74 6.6 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 108.047 -2.021 . . . . 0.0 108.047 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -63.57 -34.13 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -62.06 -42.08 98.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.88 -68.66 0.52 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.03 67.62 10.27 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -47.92 138.53 8.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.693 0.62 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -150.74 -12.56 0.23 Allowed 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.734 0.646 . . . . 0.0 110.968 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 77.41 -46.0 0.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.968 0.507 . . . . 0.0 110.701 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -65.34 -47.95 74.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.471 0.177 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.06 79.21 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.58 -49.87 66.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.35 -45.98 62.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.235 0.334 . . . . 0.0 111.015 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.38 -28.54 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.12 -45.74 66.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 1.019 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -55.23 -42.13 73.01 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.519 178.364 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.98 -51.46 69.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.18 -37.19 82.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.38 -66.69 0.34 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.982 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -45.05 -43.35 9.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.874 0.87 . . . . 0.0 113.067 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.14 -38.44 76.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -72.67 -41.32 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.151 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.37 -45.89 76.51 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.175 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 119.188 -0.434 . . . . 0.0 110.144 -178.666 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.08 -35.71 3.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.961 0.788 . . . . 0.0 111.591 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.64 -56.34 11.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.618 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.62 -47.23 73.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.92 -48.03 76.43 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.38 -39.61 65.85 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.58 -66.33 0.41 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 119.311 -0.376 . . . . 0.0 110.118 179.127 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.19 -35.75 3.43 Favored 'General case' 0 C--N 1.339 0.14 0 O-C-N 124.059 0.849 . . . . 0.0 110.74 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.06 -69.39 1.22 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 177.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.5 -45.78 37.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.106 0.533 . . . . 0.0 110.981 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -52.57 49.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.82 -38.61 70.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.12 -42.81 99.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.685 0.616 . . . . 0.0 110.21 177.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.36 -43.0 54.1 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.201 178.413 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.508 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.21 -36.39 63.96 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 114.35 -1.296 . . . . 0.0 109.675 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.11 -64.86 3.79 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 114.002 -1.453 . . . . 0.0 110.062 179.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.11 93.12 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -57.58 -38.96 75.71 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.216 0.508 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.49 -42.34 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.554 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.63 -48.47 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.42 80.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.562 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -60.39 -37.26 80.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 1.019 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -53.15 -50.1 65.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.782 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.14 162.44 1.39 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.62 58.28 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.916 -178.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -101.32 -100.19 2.43 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.704 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -154.14 127.78 8.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.59 -15.38 61.69 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -30.27 35.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 178.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.889 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.33 -34.41 65.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.443 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -80.26 -25.85 39.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.15 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.66 -47.1 8.14 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.43 64.51 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.889 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.65 -54.15 40.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.959 178.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.78 -26.48 68.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 122.7 0.4 . . . . 0.0 111.637 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.61 -32.29 60.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 178.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.89 -41.14 90.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.508 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.01 -28.43 62.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.46 -52.95 45.44 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -78.64 -19.92 72.45 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.77 -57.15 5.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.98 -48.54 78.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.45 -40.91 79.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -54.7 -47.17 74.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.39 -50.61 69.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.41 -35.65 78.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.806 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.78 -50.47 42.84 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.24 -34.52 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.73 -52.1 14.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.11 -42.42 63.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.468 0.48 . . . . 0.0 110.35 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.53 92.91 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.97 -27.53 66.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.72 -44.9 65.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.15 -24.07 57.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.97 -38.55 32.0 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.297 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.34 -23.92 62.9 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.6 -68.05 0.51 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.56 -31.36 66.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.61 64.94 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.53 -40.4 97.61 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -52.6 64.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.11 -50.59 36.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.242 0.617 . . . . 0.0 112.521 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.89 -62.49 1.47 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.466 0.306 . . . . 0.0 111.471 -177.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.45 -33.85 46.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 123.619 0.574 . . . . 0.0 109.72 -179.705 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.43 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -73.59 -42.37 61.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.792 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.99 -45.12 64.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.63 -50.98 7.53 Favored Glycine 0 C--N 1.335 0.485 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -177.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.83 -49.21 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.01 71.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -28.89 61.53 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.49 -116.41 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -85.94 -169.75 2.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.717 0.407 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -120.04 168.59 11.02 Favored 'General case' 0 C--N 1.339 0.145 0 O-C-N 124.595 1.184 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 81.93 -65.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.04 0.837 . . . . 0.0 110.436 179.385 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -58.2 -42.04 85.28 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -56.63 18.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.084 -179.225 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.15 33.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.407 0.442 . . . . 0.0 110.464 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.61 -58.73 6.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -53.54 -44.66 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.105 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.59 -41.23 93.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.968 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -50.0 -48.81 52.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 123.293 0.371 . . . . 0.0 110.74 178.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.85 58.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -67.12 -54.35 22.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -52.18 -52.05 54.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.275 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -47.91 -42.84 28.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.178 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.47 -42.06 70.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.429 0.633 . . . . 0.0 109.422 178.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.69 -40.1 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.986 178.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.16 167.12 20.75 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 175.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 118.072 2.619 . . . . 0.0 118.072 -179.764 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.35 -33.45 5.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.234 0.959 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.16 -58.68 4.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -53.96 -48.07 70.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.49 -47.61 75.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.6 -37.09 74.07 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 178.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -62.25 1.78 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -52.2 -39.27 59.92 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -63.31 4.21 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 107.068 -2.413 . . . . 0.0 107.068 178.191 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.68 -40.75 54.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.568 -0.816 . . . . 0.0 109.422 176.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -53.68 -52.99 58.24 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 123.292 0.37 . . . . 0.0 111.03 -179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -55.48 -40.63 71.91 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.191 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.77 -41.09 85.78 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.04 -38.66 52.86 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.761 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.99 -35.57 66.89 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.348 -1.297 . . . . 0.0 109.59 177.315 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.88 -69.32 1.24 Allowed Glycine 0 CA--C 1.527 0.791 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.234 179.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.74 -36.25 93.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -52.96 -50.42 64.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.108 0.454 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -61.5 -38.2 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.587 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -53.9 -51.56 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 101' ' ' ALA . . . -56.34 -45.56 80.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.39 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.52 -42.12 67.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.968 ' HB2' ' CB ' ' A' ' 40' ' ' ALA . . . -52.93 -53.72 45.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.638 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.67 -45.27 30.36 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . -58.0 -42.31 84.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.715 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 72.03 -159.19 53.67 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 71.03 126.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.422 0.289 . . . . 0.0 110.767 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.37 -14.42 81.96 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -54.58 5.63 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.99 67.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.13 -67.81 0.41 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.87 -38.66 16.8 Favored Glycine 0 C--N 1.338 0.643 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.81 87.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.59 43.2 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.983 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.43 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -60.35 -21.45 62.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.091 0.556 . . . . 0.0 112.436 -178.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.1 -37.25 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -55.42 -42.43 74.14 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.761 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.19 -29.78 63.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 178.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.29 -46.65 62.91 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.96 -25.78 57.17 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.31 -54.57 44.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.39 -42.24 62.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.894 -179.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -62.64 -60.44 3.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.057 0.143 . . . . 0.0 110.885 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.82 73.96 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -52.52 -43.22 64.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.335 0.397 . . . . 0.0 110.435 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.72 -70.67 0.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.464 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.357 -179.634 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.51 -39.57 37.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.513 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.81 -43.89 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.435 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.75 -52.28 26.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.64 -47.27 50.0 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 123.724 0.64 . . . . 0.0 111.246 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.4 -44.07 96.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.465 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.95 -30.51 67.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.81 -37.77 88.61 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.11 -44.36 80.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.296 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.05 -29.37 67.25 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.12 -45.76 59.28 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -60.2 -34.09 73.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.07 -66.56 0.52 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.95 -24.7 76.86 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.35 -39.35 31.26 Favored Glycine 0 C--N 1.337 0.633 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.09 -51.17 71.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.157 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.55 -50.72 59.51 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.243 0.617 . . . . 0.0 112.445 179.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -61.56 -58.34 8.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.807 0.337 . . . . 0.0 110.598 -178.554 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -19.97 18.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.723 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.4 -48.04 13.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.996 -179.161 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.23 -31.92 69.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.461 -178.388 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -51.71 4.9 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.06 -31.25 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.723 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -69.44 -43.36 73.5 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.237 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.13 -26.25 39.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.252 0.221 . . . . 0.0 111.039 -178.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 -118.14 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . -155.27 -90.47 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . 43.08 -55.77 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 178.145 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.832 ' N ' ' O ' ' A' ' 31' ' ' PHE . . . 64.99 -46.57 0.35 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 -177.467 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -66.93 -42.8 84.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 177.303 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . . . -62.23 -43.98 97.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.2 -43.83 71.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.01 -40.06 72.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.594 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -64.03 -34.87 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.799 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.4 -42.92 92.09 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.5 -41.21 63.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 124.347 1.03 . . . . 0.0 108.311 177.346 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -54.9 -48.6 72.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.85 -38.58 86.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -52.25 -57.02 10.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.43 -42.92 7.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.311 1.007 . . . . 0.0 109.915 175.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -59.27 -48.2 82.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.12 -0.362 . . . . 0.0 110.654 178.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -58.41 -47.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.95 69.01 1.86 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 102.468 -3.16 . . . . 0.0 102.468 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.665 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 -175.323 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.313 0.101 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.21 -47.77 17.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.987 0.515 . . . . 0.0 112.092 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.39 -55.43 27.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.699 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.95 -31.62 41.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -59.23 -58.7 7.5 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.644 178.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.38 -6.84 4.84 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -80.47 -74.1 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 178.26 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.74 -37.33 8.34 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 123.989 0.806 . . . . 0.0 110.409 178.396 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.32 -63.5 5.01 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.3 -48.2 18.24 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.597 0.822 . . . . 0.0 111.0 176.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.61 24.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.403 0.281 . . . . 0.0 111.513 -178.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.44 -44.8 72.81 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.11 -42.19 76.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.82 -44.53 59.2 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 123.862 0.726 . . . . 0.0 109.117 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -70.8 -36.65 73.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.461 178.286 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.57 -66.93 2.5 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.37 98.75 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.43 -38.8 66.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.257 0.528 . . . . 0.0 110.257 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.08 -41.82 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.07 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.55 -58.56 8.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.65 63.06 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.731 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.67 -52.45 65.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.14 -40.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 123.363 0.415 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.31 -103.7 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.23 36.36 0.02 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.546 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -102.94 90.37 3.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.808 0.843 . . . . 0.0 109.826 -179.325 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.65 -24.95 57.83 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.6 36.65 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.609 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -74.68 -32.62 62.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.12 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.06 -28.04 39.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.5 -45.63 10.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.05 72.97 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.33 -53.34 54.26 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.304 178.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.73 -30.45 67.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 122.499 0.32 . . . . 0.0 111.201 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.88 -32.14 63.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.53 -46.43 88.89 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.62 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.1 -26.58 65.89 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.86 15.04 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.43 -25.55 74.75 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.091 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.05 -63.05 1.26 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.55 -47.21 84.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -61.57 2.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.849 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.18 -41.82 28.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.626 0.579 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.58 -50.81 69.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.303 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -69.65 -58.49 3.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.893 -179.199 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 O-C-N 123.249 0.343 . . . . 0.0 110.41 -179.741 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.23 -60.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.84 -40.51 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.999 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.94 -50.61 32.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -52.27 -48.76 65.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 123.383 0.427 . . . . 0.0 110.991 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.95 -39.19 91.26 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 178.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.71 -29.07 67.86 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.67 -39.94 88.36 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.69 -46.23 89.09 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.937 179.342 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.06 -28.9 66.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.44 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.31 -32.52 64.65 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.19 -35.85 78.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -64.86 -65.05 0.72 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.76 -34.21 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.43 -71.26 0.77 Allowed Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 179.043 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.67 -42.87 2.14 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 124.367 0.984 . . . . 0.0 114.421 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.0 -53.65 55.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.041 1.421 . . . . 0.0 108.043 178.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -50.4 -51.55 45.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.479 0.712 . . . . 0.0 112.761 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.61 -56.75 13.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.865 0.466 . . . . 0.0 111.697 -178.135 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.71 42.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.434 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.08 -40.89 26.68 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -58.9 -62.1 2.13 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.85 -42.36 85.79 Favored Glycine 0 C--N 1.337 0.604 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.78 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . -56.21 -36.33 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 118.116 0.958 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.02 26.13 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.69 -52.89 9.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 117.777 0.262 . . . . 0.0 111.484 -177.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.29 -119.2 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.78 ' O ' ' O ' ' A' ' 27' ' ' VAL . . . -88.7 -164.07 1.07 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -150.19 74.98 1.22 Allowed 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.902 0.752 . . . . 0.0 109.921 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.58 -88.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.17 -52.04 67.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.405 0.282 . . . . 0.0 111.756 -179.002 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.93 -49.21 74.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 122.05 0.14 . . . . 0.0 110.768 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -52.44 39.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.353 0.408 . . . . 0.0 110.555 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.08 -49.56 60.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.357 0.411 . . . . 0.0 110.632 179.325 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.89 -34.51 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.608 0.242 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.98 -42.77 94.26 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . . . -52.12 -45.66 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 123.937 0.773 . . . . 0.0 109.245 177.784 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.48 -54.53 39.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.046 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -32.94 72.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.45 -60.34 3.55 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 178.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.97 -44.82 2.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.727 1.267 . . . . 0.0 110.122 176.534 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -55.06 -46.34 75.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.23 -38.37 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.41 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 174.241 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -172.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.67 -39.84 5.42 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 123.776 0.672 . . . . 0.0 111.655 -179.606 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.67 -47.96 82.97 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.664 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -59.36 -45.36 91.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.469 179.261 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.35 -52.59 64.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.22 -38.07 32.31 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 178.595 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.08 -65.81 0.51 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.97 -35.47 0.37 Allowed 'General case' 0 C--N 1.343 0.302 0 O-C-N 124.696 1.248 . . . . 0.0 110.766 179.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.61 4.25 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 105.837 -2.905 . . . . 0.0 105.837 176.496 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -47.82 -51.9 20.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.407 -0.897 . . . . 0.0 111.111 177.423 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.96 19.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.24 -45.59 72.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.66 -44.13 90.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.36 0.412 . . . . 0.0 110.819 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 94' ' ' ALA . . . -50.62 -48.07 58.09 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.285 0.564 . . . . 0.0 110.311 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -73.74 -34.18 64.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.048 178.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.6 -67.76 2.03 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.641 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.92 82.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -67.91 -34.74 77.19 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.507 0.653 . . . . 0.0 110.146 -179.449 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.711 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -68.15 -41.95 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -68.19 -38.19 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.252 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.33 -51.61 65.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 1.05 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -64.08 -30.57 71.63 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.219 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -56.47 -48.63 76.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.656 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.6 1.63 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -179.001 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.79 32.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.43 -147.34 2.2 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.581 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.69 -179.68 5.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.838 0.855 . . . . 0.0 110.112 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.2 -17.79 61.93 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.214 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.95 -30.76 35.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 1.05 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -73.34 -38.95 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.319 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.553 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -78.9 -27.75 43.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.691 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.73 -50.4 6.52 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -38.02 62.75 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.872 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.47 -49.65 72.79 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.752 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -61.58 -29.42 70.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 122.469 0.308 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.14 -27.93 61.95 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.41 -44.94 93.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 178.082 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.93 -27.57 66.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.004 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.08 -50.97 54.84 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 108.59 -1.804 . . . . 0.0 108.59 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -55.53 -66.57 2.74 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.387 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -48.61 -27.92 3.13 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.003 0.401 . . . . 0.0 111.97 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -75.19 -74.39 0.21 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.445 0.164 . . . . 0.0 111.201 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -37.83 65.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.524 -179.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.0 70.33 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -59.04 -41.2 87.25 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.23 -65.28 0.7 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.549 179.89 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.92 -34.22 44.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.121 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.46 -47.92 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.584 -179.395 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.03 -51.4 32.49 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.17 -44.89 52.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 123.775 0.672 . . . . 0.0 110.89 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.325 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.18 -30.46 68.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.95 -38.0 89.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.77 -43.65 75.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.309 179.676 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.06 -26.18 65.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.16 -40.36 45.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.16 -27.97 66.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.24 -67.32 0.46 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.29 -29.79 69.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.37 -25.92 73.19 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -39.89 32.75 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.83 -51.08 71.05 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.46 -46.05 76.85 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.446 0.698 . . . . 0.0 112.722 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.53 -59.86 4.35 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.939 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.12 -21.37 59.18 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.532 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 1.141 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.3 -42.62 22.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.468 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.42 -34.28 58.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.518 -178.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -53.84 3.97 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.651 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -66.44 -44.29 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.532 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.141 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -59.52 -39.9 85.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.216 179.459 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.14 -17.4 52.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.275 0.23 . . . . 0.0 110.433 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.45 -139.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 177.81 99.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -177.97 -90.23 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 165.52 -36.6 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.209 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.02 -48.09 81.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -178.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.651 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -58.94 -53.64 56.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.772 -0.156 . . . . 0.0 110.944 -178.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.49 -51.97 24.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 123.497 0.498 . . . . 0.0 110.99 -179.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.63 -46.27 67.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.183 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -56.44 -38.58 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.5 -41.3 98.73 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.92 -46.44 64.63 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 123.933 0.771 . . . . 0.0 109.628 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.99 -52.06 64.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.77 -35.17 74.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.03 -59.12 5.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.57 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.89 -44.91 1.74 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 124.858 1.348 . . . . 0.0 110.069 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.71 -44.1 73.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -66.01 -44.52 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.17 66.06 2.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 175.703 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -172.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.26 -41.42 5.9 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 111.916 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.05 -62.4 1.39 Allowed 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.17 -46.33 65.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -178.794 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.82 -50.17 71.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.28 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.11 -38.98 57.08 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.565 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.97 -66.25 0.43 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.14 -35.64 3.28 Favored 'General case' 0 C--N 1.34 0.185 0 O-C-N 123.872 0.732 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.51 -74.64 0.29 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 107.771 -2.132 . . . . 0.0 107.771 177.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.38 -46.1 12.97 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.209 0.594 . . . . 0.0 111.204 178.107 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.84 -46.47 71.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.15 -47.13 72.28 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.54 -35.38 77.6 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.702 178.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.74 -49.16 66.0 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.04 -35.93 64.36 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.193 178.373 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.17 -64.66 3.98 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.454 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -36.06 79.15 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 123.266 0.46 . . . . 0.0 111.989 -178.376 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.32 71.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 117.515 0.657 . . . . 0.0 109.913 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.599 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -72.09 -46.21 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 122.429 0.292 . . . . 0.0 110.911 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -71.66 -36.01 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.55 -57.35 13.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.616 ' HB1' ' CB ' ' A' ' 106' ' ' ALA . . . -73.41 -36.75 66.03 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.035 -179.265 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 95' ' ' VAL . . . -62.47 -54.53 38.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -66.29 -50.47 63.56 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.06 -179.698 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 7.09 0.14 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.23 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.82 107.13 0.73 Allowed Glycine 0 C--N 1.338 0.666 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.631 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . 168.85 71.01 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.557 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.62 -26.17 59.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.9 35.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.631 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -71.19 -31.68 67.93 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.113 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.47 -66.57 0.53 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -53.62 -40.77 63.72 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.913 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -60.04 2.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.599 -0.354 . . . . 0.0 111.57 -177.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.8 67.26 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.897 0.38 . . . . 0.0 110.38 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.38 -21.99 66.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.794 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -75.48 -33.83 60.85 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 178.393 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.33 -42.91 96.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 177.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -67.49 -30.15 69.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.678 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.88 -54.54 27.52 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.188 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.04 -20.0 78.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.18 -62.21 1.68 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.12 -44.97 94.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.51 -59.59 4.48 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.85 -46.01 30.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 123.617 0.573 . . . . 0.0 111.178 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.27 -52.93 63.36 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.19 -69.12 0.25 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.414 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 O-C-N 123.466 0.479 . . . . 0.0 111.03 -179.72 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . . . . . . 0 C--O 1.218 -0.586 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.75 -42.84 57.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.79 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.525 -179.611 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.65 -49.03 51.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.36 -49.57 61.22 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.606 0.567 . . . . 0.0 111.141 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.79 -38.38 85.14 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 179.227 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.57 -33.2 72.35 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.028 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.53 -39.29 93.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.45 -42.14 99.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.914 179.431 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.48 -27.56 69.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.19 -37.41 66.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.49 -38.82 88.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.64 -64.39 0.96 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.49 -31.75 64.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.64 -75.57 0.27 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.307 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.49 -42.14 1.82 Allowed Glycine 0 C--N 1.339 0.727 0 C-N-CA 124.299 0.952 . . . . 0.0 114.663 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -62.22 -54.0 47.17 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.613 1.707 . . . . 0.0 108.935 179.219 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.14 -52.31 27.01 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.508 0.723 . . . . 0.0 112.783 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.27 -52.5 61.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.33 66.07 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.112 0.482 . . . . 0.0 110.338 -178.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.17 -35.61 36.21 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.87 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.6 -59.08 3.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.2 -39.96 97.57 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.247 -178.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.489 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -65.75 -33.98 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 118.206 1.003 . . . . 0.0 109.097 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.97 63.64 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.664 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.6 -17.19 52.11 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.568 0.347 . . . . 0.0 110.48 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.77 -141.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.51 0.324 . . . . 0.0 111.084 -178.205 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.1 85.01 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -170.43 -99.69 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.526 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.11 -35.68 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -54.95 -54.61 40.54 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -53.77 -49.41 68.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.298 0.239 . . . . 0.0 111.127 -178.66 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -54.31 21.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.421 0.45 . . . . 0.0 110.776 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.598 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.25 -52.23 46.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 123.28 0.362 . . . . 0.0 111.332 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -61.25 -37.22 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.691 0.282 . . . . 0.0 110.853 -179.441 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.85 -44.52 92.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.904 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -50.12 -47.68 53.88 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 123.966 0.791 . . . . 0.0 109.623 177.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.8 63.17 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.692 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.91 -35.95 81.75 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.82 -60.5 3.28 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.99 -43.86 1.62 Allowed 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.405 1.066 . . . . 0.0 109.444 175.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.66 -44.22 73.08 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -55.05 -36.58 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.506 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.64 81.61 4.08 Favored 'General case' 0 CA--C 1.519 -0.238 1 N-CA-C 98.346 -4.687 . . . . 0.0 98.346 172.175 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.975 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -166.192 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.55 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -39.83 -50.71 2.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -176.445 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -80.05 -44.06 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.96 1.254 . . . . 0.0 112.448 -176.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -64.73 -64.97 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.71 -46.34 87.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 78' ' ' MET . . . -50.44 -42.15 42.31 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 177.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.84 -64.46 0.82 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.347 178.049 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.58 -36.3 0.38 Allowed 'General case' 0 C--N 1.342 0.273 0 O-C-N 124.858 1.348 . . . . 0.0 110.691 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.69 -73.07 0.51 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 106.561 -2.615 . . . . 0.0 106.561 177.645 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.64 -54.24 4.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.578 0.81 . . . . 0.0 112.272 177.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -54.27 31.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.714 0.405 . . . . 0.0 112.032 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -39.4 75.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.4 -41.93 86.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.856 178.073 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.43 -57.3 12.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.32 0.248 . . . . 0.0 111.382 -179.08 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.569 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -65.88 -30.84 71.51 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.127 0.489 . . . . 0.0 109.695 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.06 -63.67 4.98 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.82 -40.82 97.61 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.77 65.18 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.689 0.744 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -71.58 -42.15 71.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.445 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -64.12 -36.61 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.5 45.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -74.79 -31.95 61.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.808 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.904 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -65.47 -50.18 66.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.21 -61.25 1.92 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.094 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 157.35 35.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.413 0.149 . . . . 0.0 110.678 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -50.61 90.22 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.771 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 176.12 35.01 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.517 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.95 -22.71 55.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -68.46 0.37 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -178.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -63.36 -12.7 32.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.513 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . . . -75.61 -35.65 60.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.053 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.12 -43.07 41.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.42 -26.42 63.67 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.563 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.22 -51.11 49.13 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.841 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -68.92 -24.17 64.26 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -67.43 -45.42 76.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.68 -39.08 92.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.047 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.569 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.19 32.47 Favored Glycine 0 C--N 1.336 0.541 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.795 -178.318 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.85 -13.01 75.28 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -74.09 -62.32 1.55 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.2 -47.7 81.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.641 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -52.91 -51.73 60.24 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.175 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.15 -67.67 0.23 Allowed 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.599 0.562 . . . . 0.0 110.111 179.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -41.54 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.889 0.743 . . . . 0.0 112.89 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -51.63 -44.0 62.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.021 0.201 . . . . 0.0 111.267 -179.368 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 119' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.368 0 C-N-CA 123.188 0.595 . . . . 0.0 112.522 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.87 -45.69 60.46 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.65 -40.64 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.72 -48.58 59.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.677 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.64 -45.01 70.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 123.397 0.436 . . . . 0.0 110.116 179.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.16 99.36 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.92 -29.35 68.32 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.74 -38.69 91.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.62 -46.44 72.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.224 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.09 -27.95 64.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.909 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.91 -41.02 60.5 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.48 -28.53 69.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.49 -67.7 0.43 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.4 -31.05 67.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -25.44 75.07 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.54 -40.26 39.42 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 1.026 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.24 -48.55 78.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.616 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -61.31 -39.44 90.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.003 0.521 . . . . 0.0 111.475 178.123 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -68.54 -70.25 0.28 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -22.32 48.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 1.026 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -78.09 -46.3 21.13 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.73 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.77 -24.95 58.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.334 0.254 . . . . 0.0 111.45 -178.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -49.47 5.83 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.356 -2.298 . . . . 0.0 107.356 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.64 -31.16 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -69.86 -41.51 74.76 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.523 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.01 -29.0 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.12 -136.04 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.61 79.54 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.2 -159.16 0.86 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -141.42 -27.4 0.68 Allowed 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 123.912 0.758 . . . . 0.0 110.029 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.69 -46.71 89.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.86 79.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.89 57.92 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.283 0.365 . . . . 0.0 110.98 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -55.33 -47.84 75.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.92 -43.18 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.54 -42.15 98.41 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.47 -53.04 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 123.763 0.664 . . . . 0.0 110.468 178.808 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.98 -44.1 63.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.53 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.76 -46.53 90.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.82 -63.89 1.0 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.95 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.84 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -49.59 -48.47 48.81 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.37 -52.49 39.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.48 -68.51 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -176.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -64.1 -41.3 97.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.07 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.43 -26.9 0.94 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.902 0.751 . . . . 0.0 110.542 178.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.31 -52.33 28.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.92 -45.72 82.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.81 -50.24 72.95 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.851 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.53 -39.77 38.11 Favored Glycine 0 C--N 1.338 0.68 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.42 -66.4 0.41 Allowed 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.185 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.73 -35.51 0.33 Allowed 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.566 1.166 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.19 -70.4 0.99 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 106.371 -2.691 . . . . 0.0 106.371 176.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.5 -52.89 7.53 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 124.381 0.695 . . . . 0.0 111.82 177.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.64 67.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.401 0.28 . . . . 0.0 110.947 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.36 -49.61 64.0 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.3 -34.09 73.29 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 122.37 0.268 . . . . 0.0 111.306 178.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.02 -53.38 58.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 118.731 0.696 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -73.65 -34.42 64.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.801 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.25 -62.79 5.79 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.054 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.22 -39.13 88.29 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -178.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -69.67 -30.16 67.77 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.548 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -65.36 -43.87 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.219 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.563 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . . . -63.03 -32.8 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -59.27 -45.24 91.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.321 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 106' ' ' ALA . . . -64.7 -35.62 81.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.435 ' HB1' ' N ' ' A' ' 37' ' ' LYS . . . -58.19 -53.49 57.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.32 -50.35 71.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.54 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.39 21.03 73.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.616 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -87.69 89.46 8.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.89 -30.14 65.91 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -29.32 36.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.437 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.803 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . . . -76.69 -33.57 58.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.81 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -66.16 -63.44 1.08 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.2 -31.94 66.63 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.434 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.42 -55.25 5.88 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.547 0.674 . . . . 0.0 110.869 -177.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.503 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -62.34 -44.41 96.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.63 -26.15 66.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.585 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -71.43 -34.75 70.56 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.34 -44.1 95.84 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.572 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -62.38 -35.16 78.3 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.478 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.42 71.21 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.34 -64.37 4.36 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.482 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -48.67 -53.39 18.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.954 0.377 . . . . 0.0 111.927 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.76 -65.93 0.61 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.908 -0.133 . . . . 0.0 111.12 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.32 -63.97 0.97 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.54 -54.42 7.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -50.62 -59.38 4.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.399 0.28 . . . . 0.0 111.498 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -57.16 -48.54 78.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.65 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.603 -179.489 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.54 -51.76 32.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.09 -39.4 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.353 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.15 -51.31 32.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.48 -46.97 63.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.637 0.586 . . . . 0.0 110.804 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.51 -41.77 97.8 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.16 -29.79 67.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.81 -38.68 89.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.73 -47.24 75.99 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.149 179.651 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.55 -28.32 65.38 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.63 -40.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -62.9 -35.66 80.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -62.8 -65.08 0.74 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.62 -39.4 70.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.76 73.63 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.79 23.27 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.56 -49.11 78.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.198 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.1 -51.45 57.7 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.352 0.661 . . . . 0.0 112.388 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.57 -60.92 2.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.283 0.233 . . . . 0.0 111.263 -178.441 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.53 -20.13 18.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.34 -45.92 16.97 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.022 -179.609 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.0 -34.45 71.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.328 -178.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.68 -49.02 8.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -179.523 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.9 -35.33 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -61.91 -41.1 97.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.003 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.36 -30.84 71.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.63 -143.2 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.05 -64.44 0.12 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.992 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -27.0 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 172.88 -22.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.904 0.127 . . . . 0.0 110.929 -179.308 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.83 -52.14 61.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.194 0.198 . . . . 0.0 111.003 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.67 72.66 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB2' ' HA2' ' A' ' 104' ' ' GLY . . . -50.2 -51.54 43.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.32 0.388 . . . . 0.0 110.969 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.19 -45.1 68.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.203 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.3 -35.65 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.163 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.51 -44.69 81.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.83 -46.7 64.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.959 0.787 . . . . 0.0 109.555 178.086 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.99 65.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.99 -35.72 81.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.98 -62.47 1.63 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.773 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -44.89 -44.02 9.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.063 0.852 . . . . 0.0 111.238 177.76 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -54.73 -46.36 74.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.842 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.53 -41.97 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -71.87 -28.94 63.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.115 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . . . . . . 0 N--CA 1.448 -0.552 0 O-C-N 124.137 0.898 . . . . 0.0 108.61 178.266 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.04 -30.17 1.75 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.222 0.951 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.35 -56.95 7.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.643 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.35 -49.58 73.97 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.4 -54.66 37.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.65 -37.77 42.75 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 178.654 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.85 -66.05 0.46 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.32 -36.33 2.74 Favored 'General case' 0 C--N 1.341 0.223 0 O-C-N 123.878 0.736 . . . . 0.0 111.112 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.16 -72.52 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 107.714 -2.154 . . . . 0.0 107.714 177.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.06 -46.66 8.62 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.595 0.82 . . . . 0.0 111.064 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.86 -50.55 66.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 110.238 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.49 -52.0 42.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.727 179.587 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.36 -37.05 79.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.259 0.224 . . . . 0.0 110.845 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.04 -52.62 41.39 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.007 0.432 . . . . 0.0 110.015 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.43 -34.78 63.31 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.372 179.022 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.43 -67.19 2.31 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.208 179.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.69 -36.97 93.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.91 76.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.49 -45.01 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 122.738 0.415 . . . . 0.0 110.184 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.57 -36.3 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -51.75 65.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -72.96 -58.0 3.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.418 -178.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -48.04 -54.36 13.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.081 0.552 . . . . 0.0 111.645 -179.211 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.79 -44.88 78.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.07 -11.06 59.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 119.104 -0.474 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -124.34 -110.74 1.89 Allowed Glycine 0 C--N 1.342 0.866 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . . . 178.64 -159.91 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.204 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.527 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -50.15 -28.91 14.25 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -74.74 0.1 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.23 74.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.469 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -62.6 -51.05 68.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.28 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.3 -38.13 67.46 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.3 -63.24 1.1 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.467 -178.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.28 -46.59 88.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.756 -178.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.15 -26.79 67.59 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.06 -31.34 62.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.61 -46.19 83.69 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.013 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -60.85 -32.4 71.81 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.026 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.31 -89.51 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 178.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -39.6 -30.07 0.18 Allowed Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.599 0.618 . . . . 0.0 114.179 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -59.05 4.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.016 0.908 . . . . 0.0 109.236 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.33 -47.3 77.0 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.49 -45.3 81.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -54.95 -43.6 73.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.582 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.73 -43.78 76.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.77 -37.79 79.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.758 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.31 -34.98 48.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.223 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -63.97 -43.67 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.661 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.8 -50.21 21.63 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.36 -44.97 65.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.418 0.449 . . . . 0.0 110.495 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.56 -42.46 98.87 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.32 -28.5 68.19 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -38.29 89.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -64.09 -41.83 97.15 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -64.73 -22.88 67.08 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.2 -43.58 23.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.96 -26.02 64.84 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.581 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.93 -67.72 0.42 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.66 -28.84 64.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.54 67.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.744 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.85 -40.27 15.01 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -177.67 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.05 -51.61 68.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.815 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.42 -46.88 83.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.08 -60.62 3.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.036 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 39' ' ' GLU . . . -55.21 -20.27 10.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.052 178.247 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -79.98 -45.72 17.95 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.846 -179.139 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -72.11 -33.59 67.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.284 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.29 -53.21 4.22 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.94 -47.38 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.29 77.03 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.652 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -77.8 -21.13 52.07 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 117.59 0.177 . . . . 0.0 110.593 -178.871 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.31 -141.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.35 0.26 . . . . 0.0 110.787 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.83 68.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -160.88 -155.55 0.42 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -143.56 -31.07 0.48 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.846 0.716 . . . . 0.0 109.304 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.21 -45.66 90.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.73 81.65 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.79 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.47 67.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.324 0.39 . . . . 0.0 109.974 179.626 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.24 -47.58 65.66 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 123.332 0.395 . . . . 0.0 110.338 179.47 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -62.93 -35.6 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . . . -65.08 -42.67 93.89 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.2 -41.31 62.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.054 0.846 . . . . 0.0 108.928 177.591 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -56.64 -51.27 69.37 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.85 -34.34 72.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.137 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -56.66 -63.53 1.17 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.83 -40.78 1.03 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.157 0.91 . . . . 0.0 111.203 177.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -69.8 -49.55 51.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 178.773 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.68 -55.2 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 C-N-CA 123.369 0.667 . . . . 0.0 109.694 -178.648 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.18 81.18 1.79 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 173.791 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.841 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 -175.71 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 119.708 -0.187 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.88 -40.23 13.62 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 123.59 0.556 . . . . 0.0 111.786 179.255 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.02 -55.56 27.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.636 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.06 -41.61 68.35 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.75 -50.95 70.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.262 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.49 50.84 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.82 -64.48 0.81 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.71 -35.96 2.92 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 124.072 0.857 . . . . 0.0 111.156 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.01 -70.44 0.94 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.381 -2.288 . . . . 0.0 107.381 177.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.09 -45.58 16.4 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 124.706 0.886 . . . . 0.0 110.495 177.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -52.81 57.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.121 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.68 -46.22 74.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.17 -43.21 92.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.213 0.321 . . . . 0.0 110.615 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.81 -47.09 51.57 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.667 0.604 . . . . 0.0 109.926 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.87 -31.41 61.6 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.213 178.136 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.98 -65.01 3.89 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.9 179.021 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.12 92.09 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -178.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -65.74 -35.88 82.0 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.564 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -65.51 -47.02 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.746 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.53 -33.58 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -65.08 -49.08 71.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.452 179.565 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.644 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . -66.1 -41.54 90.48 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.725 -179.34 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.57 70.17 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.95 -26.64 48.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.183 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . -67.42 -113.58 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.853 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -78.77 -61.54 2.4 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.746 -0.475 . . . . 0.0 112.551 -178.488 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.85 -151.76 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 117.338 0.569 . . . . 0.0 111.356 -178.4 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.83 -18.08 2.56 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.628 -179.533 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.93 -75.42 0.08 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.01 0.405 . . . . 0.0 110.401 179.644 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.622 ' C ' ' HB1' ' A' ' 98' ' ' ALA . . . -61.0 -38.88 87.6 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.493 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 98' ' ' ALA . . . -59.97 -47.48 85.64 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.331 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.26 -35.69 91.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 -178.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.07 -61.2 2.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.37 0.605 . . . . 0.0 109.629 -179.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -57.97 -41.15 82.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.75 -17.39 64.53 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.137 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.13 -32.02 39.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.75 -43.65 98.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 176.149 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.45 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -69.58 -29.27 66.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 177.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.57 -46.5 93.62 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.665 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -57.3 -66.51 2.79 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 107.968 -2.053 . . . . 0.0 107.968 178.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.834 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.85 -65.53 0.49 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 179.541 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.77 -72.28 0.13 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -66.2 0.43 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -54.04 -35.13 61.64 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.865 -0.112 . . . . 0.0 111.019 -178.243 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.834 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -56.24 -45.04 80.14 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.012 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -75.9 -55.18 5.86 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 122.4 0.28 . . . . 0.0 110.672 -179.505 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.16 -45.91 53.88 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.8 -38.19 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.31 -179.807 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.38 -53.18 14.99 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.8 -43.26 48.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.634 0.584 . . . . 0.0 110.82 179.613 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.73 -46.46 89.55 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.181 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.54 -30.1 68.37 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.121 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.05 -37.16 86.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.23 -41.27 77.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.585 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.87 -25.22 67.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.441 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.77 -46.66 21.01 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.763 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.67 -27.08 68.1 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.78 -66.77 0.51 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.327 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.1 -26.9 67.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.44 -37.23 62.63 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.643 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.84 -39.02 85.88 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.614 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.58 -50.92 72.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.352 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.9 -44.58 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.742 0.417 . . . . 0.0 111.08 178.534 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.34 -62.1 1.82 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.527 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -22.42 11.41 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.413 179.084 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.85 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.17 -44.0 20.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.769 -179.75 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.0 -37.02 75.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.386 -178.769 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.2 -53.0 4.61 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -62.85 -48.36 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.85 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -55.84 -39.51 71.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.631 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.93 -19.2 61.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.871 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -66.51 -146.86 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.349 0.26 . . . . 0.0 110.745 179.433 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 169.03 79.22 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.349 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -179.55 -33.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.635 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 170.11 -24.42 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.288 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -46.67 -50.94 16.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.703 0.627 . . . . 0.0 112.279 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -68.76 0.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.445 0.298 . . . . 0.0 111.785 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -65.79 0.5 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.178 0.299 . . . . 0.0 111.459 -178.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.91 -70.95 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.374 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.49 -49.95 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -60.09 -46.79 88.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 121.89 -0.506 . . . . 0.0 109.657 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.41 -52.79 12.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.766 0.666 . . . . 0.0 110.978 179.661 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.95 71.19 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -50.8 -56.72 10.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.329 178.455 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -43.83 -57.4 3.28 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.638 1.211 . . . . 0.0 108.68 178.35 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.69 -57.12 1.58 Allowed 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.581 1.176 . . . . 0.0 111.47 176.72 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.15 -47.28 72.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.359 0.527 . . . . 0.0 111.171 178.436 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.45 -34.6 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.252 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.55 60.56 3.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 103.473 -2.788 . . . . 0.0 103.473 173.207 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -176.514 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.452 0.167 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.29 -43.01 7.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.04 0.837 . . . . 0.0 113.093 -178.505 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.11 -61.77 1.95 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.577 0.171 . . . . 0.0 111.235 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.64 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.53 -46.44 66.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.421 0.451 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.04 -46.49 75.31 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.64 -38.77 83.64 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 178.285 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -65.61 0.53 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.79 0.295 . . . . 0.0 110.611 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -50.18 -38.34 39.26 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 123.609 0.568 . . . . 0.0 109.57 179.722 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.25 -62.6 4.94 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 106.507 -2.637 . . . . 0.0 106.507 177.384 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.48 -41.52 53.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.705 -0.747 . . . . 0.0 109.812 176.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -54.48 -53.74 50.21 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.046 0.451 . . . . 0.0 111.311 -179.203 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.562 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.5 -38.91 72.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.73 -41.67 86.98 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.51 -37.32 48.66 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.233 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.745 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.92 -35.75 62.19 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.975 177.26 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.15 -67.86 1.84 Allowed Glycine 0 CA--C 1.523 0.589 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.775 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.76 90.94 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -53.93 -47.06 71.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 117.451 0.626 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.429 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -66.73 -38.92 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.41 -51.75 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.6 -62.32 1.97 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.516 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.71 -54.01 39.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 122.342 0.257 . . . . 0.0 110.975 -178.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.91 -51.7 28.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.834 0.709 . . . . 0.0 110.078 179.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.79 -44.07 69.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.361 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.15 -101.29 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.339 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.71 -160.95 33.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.337 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 74.1 130.79 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.206 0.526 . . . . 0.0 112.003 178.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.39 -4.66 80.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.67 -49.49 13.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.94 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -67.85 -39.77 83.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.631 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.727 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -75.58 -23.84 56.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.78 -57.79 2.8 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.6 -43.79 79.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -179.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.94 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -61.93 -52.13 65.32 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.634 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -62.9 -24.34 67.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.776 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.49 -35.56 40.01 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.41 -45.43 88.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.745 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.65 -30.67 70.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.54 -38.64 61.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.82 61.62 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.18 -53.48 19.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.01 -49.38 65.49 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -58.76 6.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.06 56.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 123.282 0.364 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.64 -51.63 66.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -71.31 -51.32 25.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.662 -179.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.418 0 O-C-N 123.188 0.305 . . . . 0.0 110.394 -179.633 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -55.95 -56.34 21.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 55.61 52.48 10.99 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -63.69 100.33 0.28 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.21 -54.13 12.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.42 -39.16 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.97 -47.68 57.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.63 -46.21 63.55 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.649 0.593 . . . . 0.0 110.675 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.86 -42.45 97.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.33 -32.48 70.12 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.36 -38.56 87.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -66.9 -44.06 81.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.049 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.34 -25.8 64.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.45 -37.02 44.59 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.59 -30.77 68.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.66 -67.39 0.45 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.84 -33.57 70.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.33 -22.08 78.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.62 -41.12 20.73 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 108.659 -1.776 . . . . 0.0 108.659 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.02 -46.63 84.97 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.88 -45.99 90.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.494 0.718 . . . . 0.0 112.754 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.43 -60.68 3.05 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.989 0.423 . . . . 0.0 109.865 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -20.13 54.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.337 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.605 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.45 -42.18 23.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.748 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.92 -31.42 61.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.318 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.88 -46.42 9.52 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.02 -2.432 . . . . 0.0 107.02 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.88 -35.53 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -60.75 -42.11 96.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.54 -74.91 0.19 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.5 61.59 4.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.113 0.565 . . . . 0.0 110.42 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.07 -175.25 0.72 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.802 0.334 . . . . 0.0 110.701 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 174.64 -64.35 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.96 -49.83 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.06 -48.05 80.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.402 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.1 50.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.086 0.155 . . . . 0.0 110.975 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.75 24.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.399 0.437 . . . . 0.0 111.212 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.36 -47.18 69.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.002 0.188 . . . . 0.0 110.527 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.77 -38.49 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 120.652 0.263 . . . . 0.0 111.082 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.2 -43.9 85.47 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -52.8 -46.47 67.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 123.871 0.732 . . . . 0.0 109.935 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.55 -49.83 69.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.84 -39.22 88.25 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.15 -67.99 0.21 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.124 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.48 -42.08 3.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 124.357 1.036 . . . . 0.0 111.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.14 -40.96 78.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -74.18 -46.93 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.015 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.78 -60.96 2.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.11 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.55 5.86 16.68 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.934 0.493 . . . . 0.0 111.191 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -50.87 -71.38 0.06 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -176.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 125.08 75.61 0.0 OUTLIER 'General case' 0 C--N 1.343 0.289 0 C-N-CA 126.236 1.814 . . . . 0.0 107.278 -177.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -54.66 -53.1 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.12 77.5 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.554 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.51 . . -174.48 7.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.822 1.681 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -147.9 -2.18 0.56 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.958 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -112.23 92.27 18.37 Favored Pre-proline 0 C--N 1.343 0.286 0 C-N-CA 123.759 0.824 . . . . 0.0 108.841 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.61 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -159.26 -145.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.116 1.877 . . . . 0.0 110.06 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.69 77.79 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.679 0.612 . . . . 0.0 110.442 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -100.55 -131.07 7.25 Favored Glycine 0 C--N 1.339 0.742 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -85.9 -48.45 8.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . . . 69.06 79.92 0.2 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -63.62 -55.89 20.12 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.895 ' H ' ' HB3' ' A' ' 72' ' ' ALA . . . -53.36 -31.86 46.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.47 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -54.75 -72.42 0.06 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -138.89 171.24 8.47 Favored Pre-proline 0 N--CA 1.454 -0.267 0 O-C-N 123.994 0.809 . . . . 0.0 109.15 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.51 . . -68.4 150.39 75.79 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 121.9 1.734 . . . . 0.0 110.371 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.29 177.01 45.85 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -65.35 -98.53 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 42.28 -152.81 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.952 0.782 . . . . 0.0 112.51 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 127' ' ' GLU . . . -153.74 -40.92 0.09 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.36 136.83 8.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' CB ' ' H ' ' A' ' 60' ' ' SER . . . -157.09 -61.53 0.09 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.895 ' HB3' ' H ' ' A' ' 62' ' ' THR . . . -93.15 -17.7 23.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.795 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -56.43 -83.18 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 118.551 0.614 . . . . 0.0 111.011 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 44.38 -48.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.795 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 61.71 92.76 0.05 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -177.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.893 ' HB1' ' CB ' ' A' ' 80' ' ' ASP . . . 140.2 109.89 0.0 OUTLIER 'General case' 0 C--N 1.34 0.194 0 O-C-N 125.203 1.564 . . . . 0.0 107.205 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -54.84 172.75 0.1 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 122.082 0.153 . . . . 0.0 110.764 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -43.57 -32.32 0.91 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 123.744 0.652 . . . . 0.0 111.356 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -72.46 -58.88 3.03 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.981 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.893 ' CB ' ' HB1' ' A' ' 76' ' ' ALA . . . -55.97 -48.42 75.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.38 -47.77 75.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.86 -39.19 61.56 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.39 -67.42 0.27 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.189 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.5 -34.85 1.46 Allowed 'General case' 0 C--N 1.341 0.235 0 O-C-N 123.94 0.775 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.44 -73.2 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 106.958 -2.457 . . . . 0.0 106.958 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.24 -46.83 12.69 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.321 0.659 . . . . 0.0 111.279 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.31 -49.13 64.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.802 0.334 . . . . 0.0 110.36 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.28 -42.71 77.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.12 -40.29 89.2 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.062 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.94 -47.02 61.12 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.51 70.51 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.609 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.84 -67.31 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.666 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.09 -37.68 91.85 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.19 78.41 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.629 0.714 . . . . 0.0 110.393 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.73 -44.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.555 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -61.91 -36.63 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.91 78.3 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.2 75.24 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . . . -58.4 -52.19 66.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -67.03 -52.76 38.38 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -22.33 13.87 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 78.08 16.76 79.34 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.606 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -83.29 86.79 6.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.54 -29.62 57.83 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.61 -29.32 36.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -75.63 -36.09 60.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.263 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.03 -26.58 39.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 122.52 0.328 . . . . 0.0 110.562 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.26 -45.17 10.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.55 -39.03 65.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.52 -49.39 69.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.67 -27.64 69.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 122.487 0.315 . . . . 0.0 111.387 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.36 -32.83 64.74 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.18 -41.1 98.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -69.36 -30.55 68.58 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.74 -52.36 51.22 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -73.91 -18.93 79.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.61 -61.0 1.94 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.05 -47.83 84.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.5 -46.69 76.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -52.73 -41.26 63.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.413 0.446 . . . . 0.0 110.126 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -58.55 -53.95 52.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.31 -39.78 80.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -63.73 -23.44 67.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -76.33 -54.28 6.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.765 ' O ' ' N ' ' A' ' 127' ' ' GLU . . . -77.47 47.67 0.6 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -56.05 59.54 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.765 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -60.17 173.84 0.6 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -75.79 -60.56 2.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 116.975 -1.488 . . . . 0.0 109.756 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -75.49 179.6 5.17 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 175.92 -68.92 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -160.71 60.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.18 -41.56 57.73 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.23 -42.19 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.452 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.86 -52.33 25.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -48.78 -46.37 41.38 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.813 0.696 . . . . 0.0 111.175 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.58 -45.33 94.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.98 -29.9 67.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.01 -38.66 92.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.67 -41.8 78.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.199 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.73 -26.16 66.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.12 -40.32 46.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.07 -29.4 68.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.91 -67.38 0.46 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.28 -31.24 68.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.3 78.72 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.24 -40.57 19.62 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.51 -46.98 85.62 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.67 -47.47 82.22 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.529 0.731 . . . . 0.0 112.815 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.43 -61.91 1.93 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 110.71 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.69 -22.06 56.18 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.392 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.674 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.3 -43.06 21.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.772 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.14 -34.22 65.97 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 122.618 0.367 . . . . 0.0 111.185 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.87 -46.84 12.82 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.72 -2.152 . . . . 0.0 107.72 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.23 -33.51 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -61.88 -43.48 98.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.373 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.27 -76.33 0.16 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 119.851 -0.118 . . . . 0.0 110.811 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.48 62.77 6.09 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.959 0.504 . . . . 0.0 109.884 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -69.78 -176.24 1.03 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 110.754 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 174.43 -64.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 169.61 -49.98 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.86 -49.51 72.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.988 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -54.99 39.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.061 0.144 . . . . 0.0 111.273 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.93 39.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.299 0.374 . . . . 0.0 111.063 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.42 -46.16 66.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.141 0.276 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -65.63 -36.3 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 120.55 0.214 . . . . 0.0 111.134 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.97 -45.11 78.7 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.65 67.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.74 0.65 . . . . 0.0 109.61 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.31 -50.55 71.13 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.94 -37.14 81.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.58 -70.25 0.11 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.744 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.01 -41.08 1.58 Allowed 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.186 0.928 . . . . 0.0 112.484 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -60.77 -40.14 91.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.42 -48.62 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.36 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.21 -54.04 18.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.643 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.12 9.09 7.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.763 0.425 . . . . 0.0 111.966 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -47.6 -67.88 0.24 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -177.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 98.78 58.7 0.0 OUTLIER 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.189 1.396 . . . . 0.0 107.469 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.725 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -45.68 -32.14 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.08 64.76 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.546 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.725 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.508 . . -174.85 -13.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 121.701 1.601 . . . . 0.0 111.145 -179.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -98.63 -66.32 0.91 Allowed 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.436 0.694 . . . . 0.0 109.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -70.07 16.36 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.548 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -73.11 -151.44 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 121.545 1.496 . . . . 0.0 108.512 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.62 90.61 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -143.83 -33.92 0.09 OUTLIER Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.166 -1.573 . . . . 0.0 109.166 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -158.71 -70.4 0.09 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 58.59 91.85 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.329 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.911 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . . . 55.77 53.43 9.44 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.47 159.21 0.23 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 171.28 -76.5 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -172.16 -55.27 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.513 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' CB ' ' CB ' ' A' ' 70' ' ' ALA 2.509 . . 63.11 26.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.349 2.033 . . . . 0.0 110.699 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -142.52 -45.14 0.05 OUTLIER Glycine 0 C--N 1.338 0.678 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -71.25 -150.2 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -77.5 155.02 31.94 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 67.96 152.6 0.09 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 72' ' ' ALA . . . 173.81 54.5 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.79 ' O ' ' O ' ' A' ' 125' ' ' TYR . . . -67.52 42.33 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.697 ' HB3' ' C ' ' A' ' 125' ' ' TYR . . . 64.91 17.92 11.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 177.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 43.73 13.48 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . 68.59 -147.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -146.88 34.24 0.92 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.911 ' HB2' ' CB ' ' A' ' 61' ' ' SER . . . 49.38 20.7 0.48 Allowed 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 124.468 1.105 . . . . 0.0 109.177 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -87.53 67.09 9.26 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.156 0.582 . . . . 0.0 110.291 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -37.25 4.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 124.106 0.879 . . . . 0.0 111.691 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.28 -62.21 1.48 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.68 -49.21 65.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.36 -45.77 76.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.0 -39.34 78.99 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.75 -66.58 0.37 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.467 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -48.01 -36.04 12.06 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 123.701 0.625 . . . . 0.0 109.979 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.61 -66.66 2.41 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 106.852 -2.499 . . . . 0.0 106.852 177.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.52 -43.21 35.02 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.326 0.662 . . . . 0.0 110.325 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -52.7 -52.39 56.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.013 0.435 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.34 -40.32 74.28 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.03 -41.56 83.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.42 -38.52 53.99 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.81 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.05 -37.51 64.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.968 177.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.47 -64.72 3.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.424 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.59 -39.17 96.56 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.44 -44.4 72.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 117.181 0.49 . . . . 0.0 110.292 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.0 -40.95 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.38 -50.4 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.4 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.166 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.91 68.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -55.75 -49.03 74.21 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.45 -38.16 58.61 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.349 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -104.25 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.22 -55.19 0.19 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.09 126.81 2.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.34 -4.59 89.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.23 -44.35 17.9 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.22 -32.63 63.09 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.486 -1.233 . . . . 0.0 108.115 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.73 -62.52 1.82 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.67 92.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.13 -58.68 5.4 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.9 -39.29 74.14 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.68 -22.01 66.09 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.495 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.69 -33.93 40.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.21 -42.23 94.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.81 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.55 -29.12 67.61 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.61 -40.73 94.17 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -80.07 -23.34 61.6 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.75 -57.85 5.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.94 -46.99 86.88 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.69 -45.58 81.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -55.26 -44.53 75.68 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.59 -48.8 68.9 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -66.55 -36.48 82.78 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.94 -31.0 62.54 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.12 -59.52 2.75 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.79 ' O ' ' O ' ' A' ' 71' ' ' LYS . . . -77.86 51.47 0.95 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -161.59 66.15 0.27 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.52 ' H ' ' HB2' ' A' ' 72' ' ' ALA . . . 69.96 178.86 0.25 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 68.51 -59.67 0.45 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.809 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -56.13 -70.17 0.12 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 67.13 -160.1 0.23 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -156.66 48.58 0.46 Allowed 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -80.09 -30.81 39.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -64.64 -48.06 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.516 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.95 -50.39 35.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.35 -45.18 54.9 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.744 0.652 . . . . 0.0 111.004 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.99 -43.63 98.44 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.44 -30.34 68.42 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.96 -38.09 89.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.99 -43.28 79.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.202 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.68 -26.06 65.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.3 -35.97 47.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.78 -26.37 62.4 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -69.08 -68.08 0.43 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.3 -29.65 70.0 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.48 -23.13 76.23 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.57 -39.99 24.05 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.02 -51.09 71.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.41 -42.31 77.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.184 0.594 . . . . 0.0 112.106 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.9 -63.96 0.99 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.008 0.433 . . . . 0.0 110.101 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -55.78 -23.68 31.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.42 -45.77 17.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.517 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.22 -34.31 70.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.561 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.43 -50.91 5.16 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.63 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -59.12 -45.31 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -65.25 -37.78 88.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.647 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.04 -31.69 56.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.46 -118.97 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.56 -162.26 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.76 74.37 1.21 Allowed 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 123.845 0.716 . . . . 0.0 110.009 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.82 -88.57 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.76 -50.36 69.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -56.73 -50.56 71.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 122.474 -0.141 . . . . 0.0 110.798 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.42 64.4 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.282 0.363 . . . . 0.0 110.234 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.64 -49.25 62.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.292 0.37 . . . . 0.0 110.989 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -36.08 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 120.642 0.258 . . . . 0.0 111.016 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.87 -43.43 92.98 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -52.96 -42.62 65.67 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.733 0.645 . . . . 0.0 109.531 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.54 -50.38 72.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.3 -38.28 79.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -53.57 -64.02 0.96 Allowed 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.26 -46.92 2.38 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.121 0.969 . . . . 0.0 112.409 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.13 -39.77 75.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.86 -37.33 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -44.23 -49.59 9.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 124.508 1.13 . . . . 0.0 110.862 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.98 84.06 0.5 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -58.71 -174.82 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.323 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . 158.36 35.34 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -61.65 -53.0 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.545 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 54' ' ' LEU . . . -66.13 -49.65 54.85 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.506 . . -55.84 -2.76 0.36 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.966 1.777 . . . . 0.0 110.664 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 52' ' ' ALA . . . -56.05 -40.49 73.59 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' CB ' ' CB ' ' A' ' 6' ' ' VAL . . . 170.35 149.19 0.15 Allowed Pre-proline 0 N--CA 1.455 -0.176 0 O-C-N 123.205 0.316 . . . . 0.0 111.825 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -70.5 67.39 2.17 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 N-CA-C 106.079 -2.316 . . . . 0.0 106.079 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.744 ' HB1' ' CB ' ' A' ' 61' ' ' SER . . . 63.22 178.51 0.15 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.6 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.16 112.93 2.9 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 107.43 -2.268 . . . . 0.0 107.43 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 65.69 13.71 9.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -175.85 80.66 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.744 ' CB ' ' HB1' ' A' ' 57' ' ' ALA . . . 169.45 -28.62 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -147.2 -143.09 0.13 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -158.57 170.9 21.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -159.48 65.26 2.62 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.143 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 64.19 -46.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.9 1.734 . . . . 0.0 110.223 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . -158.88 41.29 0.49 Allowed Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -77.29 159.81 29.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 65.02 175.75 0.2 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -65.0 -59.82 3.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 174.86 70.6 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 176.98 44.97 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.87 -30.33 63.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.243 0.217 . . . . 0.0 111.112 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.618 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . -53.37 -21.17 5.39 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -61.5 16.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 119.114 -0.47 . . . . 0.0 111.622 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.618 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -113.79 -13.09 12.66 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.968 0.907 . . . . 0.0 110.142 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.27 3.92 41.12 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.724 0.41 . . . . 0.0 111.495 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -158.62 57.44 0.44 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.64 0.2 . . . . 0.0 110.776 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.81 -34.98 4.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.863 0.727 . . . . 0.0 111.733 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.07 -56.86 7.35 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.633 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.34 -46.43 72.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.73 -46.46 81.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.64 65.19 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.51 -66.13 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.113 -0.47 . . . . 0.0 110.065 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.03 -34.86 1.87 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.236 0.96 . . . . 0.0 110.781 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.15 1.79 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 106.633 -2.587 . . . . 0.0 106.633 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.61 -47.06 40.29 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.292 0.642 . . . . 0.0 110.973 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.5 49.59 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.45 0.3 . . . . 0.0 111.363 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.77 -37.78 71.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.548 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.1 -43.03 61.01 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.622 0.725 . . . . 0.0 109.336 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.69 -33.62 62.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.712 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.75 -64.79 4.06 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.206 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.4 -36.67 89.42 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -55.62 -37.76 68.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.483 0.641 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -74.23 -41.96 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.61 -52.08 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.86 67.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.577 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.38 67.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -56.17 -51.26 68.66 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.09 -51.62 15.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.6 -27.67 50.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.16 78.57 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.523 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -83.84 85.87 7.24 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.63 -25.52 55.64 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.9 -31.91 34.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.685 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -74.84 -36.09 62.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.115 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.432 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -80.13 -25.16 40.0 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.03 -47.39 9.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.54 -32.14 69.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -65.11 -57.9 7.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.49 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.27 -25.97 67.45 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.96 -33.11 59.77 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.1 -44.2 87.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -74.09 -26.53 60.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.93 -57.58 13.57 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.77 -18.72 74.73 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.37 -56.97 7.55 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.2 -46.77 82.48 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.45 -50.0 72.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.47 75.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.065 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.82 -47.2 74.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -71.94 -36.41 69.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -65.63 -26.02 67.63 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -79.74 -67.03 0.8 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -77.32 -66.68 0.8 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -55.63 165.04 0.92 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 173.34 179.41 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 55.44 59.0 4.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 117.04 -1.457 . . . . 0.0 109.771 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -171.12 -61.81 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.601 ' C ' ' H ' ' A' ' 5' ' ' GLU . . . -170.49 -172.66 1.28 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 68.32 -23.86 0.13 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.601 ' H ' ' C ' ' A' ' 3' ' ' THR . . . -70.36 -50.62 37.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.31 -38.61 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.11 -48.81 50.08 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.24 -48.09 65.37 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.477 0.486 . . . . 0.0 110.896 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.45 -38.95 89.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.29 -32.3 71.07 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.63 -38.48 91.26 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.17 -46.29 87.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.846 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.48 -28.07 65.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.85 -37.03 67.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.85 -39.62 93.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.1 -64.31 0.99 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -54.53 -36.33 64.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.34 -71.79 0.69 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.78 -43.55 2.39 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.393 0.997 . . . . 0.0 114.115 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.84 -54.8 41.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.115 1.458 . . . . 0.0 108.227 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.0 -49.17 42.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.274 0.63 . . . . 0.0 112.145 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.32 -57.67 7.83 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.86 69.61 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 121.278 0.561 . . . . 0.0 110.188 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -78.0 -34.61 50.67 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.517 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.47 -58.48 3.93 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.625 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.93 -41.98 99.77 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.97 -37.22 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -68.94 -40.54 78.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.38 -16.68 53.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.504 0.322 . . . . 0.0 110.533 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.92 -142.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.271 0.228 . . . . 0.0 110.574 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.95 61.72 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -157.41 -152.74 0.37 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.65 -26.56 0.41 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 123.676 0.61 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -59.21 -50.14 75.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.88 78.2 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.99 61.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 123.416 0.448 . . . . 0.0 110.169 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.94 -47.14 68.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -60.84 -35.74 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.2 -43.4 91.68 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.45 -44.95 62.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.245 0.965 . . . . 0.0 109.112 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -53.84 -51.07 64.74 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.63 -34.28 75.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.46 -59.91 4.16 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.83 -42.46 1.81 Allowed 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.914 1.384 . . . . 0.0 109.452 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -56.49 -46.05 80.67 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -63.19 -47.38 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.41 66.75 4.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.818 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.49 -132.67 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -172.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.89 -148.63 0.07 Allowed 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 171.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -83.65 107.08 15.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -54.05 -39.36 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.497 0.189 . . . . 0.0 110.61 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.04 68.5 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.5 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.665 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -157.83 12.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.217 1.945 . . . . 0.0 111.234 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -83.98 -10.04 58.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.615 0.366 . . . . 0.0 110.393 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 78.2 -121.49 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.033 0.533 . . . . 0.0 110.075 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.554 ' O ' ' N ' ' A' ' 58' ' ' GLY 2.503 . . -177.34 -51.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 121.114 1.209 . . . . 0.0 111.446 -179.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.34 79.66 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.343 0.257 . . . . 0.0 110.993 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -158.68 96.2 0.15 Allowed Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.435 ' CB ' ' CB ' ' A' ' 67' ' ' GLN . . . 74.4 -87.71 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.871 0.468 . . . . 0.0 111.672 178.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 62' ' ' THR . . . 72.59 109.46 0.07 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 65' ' ' PRO . . . -54.82 50.47 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.825 ' N ' ' O ' ' A' ' 60' ' ' SER . . . -179.6 -54.24 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -69.7 -16.96 63.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.701 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -166.62 68.85 1.04 Allowed Pre-proline 0 N--CA 1.45 -0.473 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.672 ' O ' ' HA ' ' A' ' 61' ' ' SER 2.513 . . 55.49 -90.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 122.012 1.808 . . . . 0.0 110.023 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.68 113.4 0.29 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.435 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -50.72 165.07 0.11 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.542 0.337 . . . . 0.0 111.397 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -60.07 -44.53 94.68 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -154.63 79.28 1.08 Allowed 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.411 0.444 . . . . 0.0 110.072 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 172.81 168.66 0.13 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -165.56 124.81 1.7 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.554 ' HB3' ' CB ' ' A' ' 60' ' ' SER . . . -79.91 -46.15 17.28 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.86 100.81 11.78 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.43 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . -118.69 57.89 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 O-C-N 124.37 1.044 . . . . 0.0 109.309 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 51.18 -88.91 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 123.553 0.533 . . . . 0.0 110.408 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.949 ' HB1' ' CB ' ' A' ' 80' ' ' ASP . . . -49.59 118.83 3.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.614 0.571 . . . . 0.0 110.256 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -57.33 -179.74 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.706 0.402 . . . . 0.0 111.505 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.01 -38.4 3.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.311 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -71.83 -61.69 1.69 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.949 ' CB ' ' HB1' ' A' ' 76' ' ' ALA . . . -54.27 -48.7 70.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.47 -46.65 76.83 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.79 60.58 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -63.79 1.04 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.39 -36.47 1.94 Allowed 'General case' 0 C--N 1.341 0.233 0 O-C-N 123.952 0.782 . . . . 0.0 111.362 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.57 -67.28 2.26 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 106.543 -2.623 . . . . 0.0 106.543 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.58 -50.81 16.84 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.402 0.707 . . . . 0.0 111.235 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.98 22.07 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 122.46 0.304 . . . . 0.0 111.174 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.34 -41.91 69.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.77 -42.2 78.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.492 177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.48 -44.65 62.53 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.681 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -70.23 -36.51 74.58 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.425 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.25 -67.95 1.95 Allowed Glycine 0 CA--C 1.525 0.662 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.17 97.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -53.85 -37.34 63.54 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 117.289 0.544 . . . . 0.0 110.137 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -71.41 -41.13 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.09 -53.23 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.67 -48.15 80.31 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.73 68.3 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -59.39 -51.48 69.73 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.51 -51.8 52.12 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.412 0.445 . . . . 0.0 110.507 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.32 174.31 11.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.92 21.81 44.08 Favored Glycine 0 C--N 1.339 0.702 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -78.32 61.84 2.86 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.784 0.292 . . . . 0.0 110.606 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.71 -27.24 70.76 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.26 -63.27 1.14 Allowed 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -69.71 -9.63 55.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.0 -31.5 39.73 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.99 -41.26 23.08 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 107.423 -2.271 . . . . 0.0 107.423 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.87 77.62 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.49 -47.1 83.15 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.09 -29.68 70.48 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 122.367 0.267 . . . . 0.0 110.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.33 -31.76 65.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.681 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -66.4 -27.61 67.98 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.79 -50.75 45.61 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -73.5 -24.05 75.74 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -67.8 -58.16 5.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.45 -48.89 79.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.17 -43.2 78.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -53.57 -47.02 70.47 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.06 -50.73 70.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -59.35 -39.11 82.15 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -69.29 -25.79 64.42 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -78.7 -59.5 2.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.43 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -73.44 -71.43 0.31 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 58.35 -169.8 0.12 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 69.77 77.88 0.2 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.03 59.21 0.3 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.786 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -73.73 -61.67 1.76 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -76.96 -65.6 0.93 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 61.58 79.38 0.25 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.05 -39.08 63.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.09 -46.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.675 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.09 -51.43 21.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.76 -44.77 63.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.477 0.486 . . . . 0.0 110.922 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -28.51 68.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -37.92 88.4 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.16 -45.04 71.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.05 -25.6 61.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.05 -36.06 36.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.7 -25.13 61.96 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -73.29 -69.09 0.44 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.85 -32.77 67.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.78 -28.63 64.65 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.58 -38.91 68.39 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.024 -2.031 . . . . 0.0 108.024 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.14 -52.11 66.74 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.31 -49.91 41.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 112.839 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.12 -61.29 2.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.278 0.231 . . . . 0.0 111.343 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.67 -27.23 38.63 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -79.01 -37.03 40.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.215 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.32 -38.87 71.69 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.425 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.14 -45.2 41.62 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.484 -1.846 . . . . 0.0 108.484 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.51 -42.07 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.85 72.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.65 -33.98 77.15 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -99.11 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.85 -96.8 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.01 51.39 0.6 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.63 -133.94 0.33 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 124.435 1.084 . . . . 0.0 112.176 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -66.06 -38.9 89.51 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.975 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.88 29.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.6 -55.28 20.15 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.372 -0.347 . . . . 0.0 111.253 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.29 -52.01 48.99 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.278 0.361 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.54 -37.96 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 110.002 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.95 -43.37 92.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -51.19 -46.14 62.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.225 0.953 . . . . 0.0 109.698 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.89 71.47 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.48 -38.22 86.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.9 -62.62 1.54 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.26 -47.81 4.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 124.165 0.915 . . . . 0.0 111.939 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.36 -43.97 68.2 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.823 0.344 . . . . 0.0 110.083 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -69.7 -36.78 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -50.26 -54.31 22.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.713 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.47 77.69 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . -57.13 -179.21 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.075 -177.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . 165.27 28.52 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.242 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -88.25 110.95 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.761 ' O ' ' O ' ' A' ' 56' ' ' PRO . . . 158.1 -49.27 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.468 . . -82.98 -3.65 11.12 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 124.366 3.377 . . . . 0.0 111.357 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -62.03 -31.59 72.0 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -150.81 50.25 0.69 Allowed Pre-proline 0 N--CA 1.453 -0.312 0 O-C-N 123.54 0.525 . . . . 0.0 109.634 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.761 ' O ' ' O ' ' A' ' 52' ' ' ALA . . . 59.24 -107.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 121.261 1.308 . . . . 0.0 108.982 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.25 21.87 4.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.981 0.512 . . . . 0.0 109.891 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.781 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 84.94 39.57 8.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 53.17 -61.93 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.781 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 72.25 75.74 0.16 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -61.49 -176.93 0.08 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.84 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -164.27 20.24 0.06 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.83 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 62.16 44.37 7.87 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.596 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -144.78 59.68 6.56 Favored Pre-proline 0 N--CA 1.453 -0.317 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -161.74 -170.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 122.437 2.091 . . . . 0.0 109.097 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.4 33.79 0.19 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -82.51 175.36 10.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -150.81 156.57 41.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 123.585 0.553 . . . . 0.0 110.955 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 171.34 -45.84 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.1 -86.19 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -140.85 -16.25 0.88 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 117.587 -1.197 . . . . 0.0 109.788 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 73' ' ' ALA . . . -10.35 123.14 0.01 OUTLIER 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.574 1.95 . . . . 0.0 113.196 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 72' ' ' ALA . . . 154.37 -72.17 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -175.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 76' ' ' ALA . . . 58.11 -115.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.709 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 76.07 -36.31 0.28 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 74' ' ' ILE . . . -68.66 78.71 0.29 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.228 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 71.51 69.28 0.16 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.84 -35.7 24.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 123.483 0.489 . . . . 0.0 109.984 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.09 -54.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.58 -39.65 68.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.0 -48.8 75.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.03 62.38 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.14 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.13 14.2 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 123.498 0.499 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.88 -70.92 0.78 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 107.773 -2.131 . . . . 0.0 107.773 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.05 -44.28 31.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.382 0.695 . . . . 0.0 110.589 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.58 64.13 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 110.732 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.35 -44.41 72.11 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.33 -41.14 92.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.79 -44.46 48.97 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.72 -34.86 62.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.846 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.68 -65.62 3.31 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 114.097 -1.41 . . . . 0.0 110.839 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.35 83.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.46 91.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 117.326 0.563 . . . . 0.0 109.888 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.21 -45.53 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -61.95 -39.77 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.54 72.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.08 93.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.567 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.26 -53.86 52.21 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -65.03 -51.2 62.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.86 -18.97 5.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.4 14.61 82.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -82.96 86.18 7.02 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.88 -25.64 53.16 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.84 35.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -71.12 -34.81 71.41 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.05 -25.92 39.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.594 0.358 . . . . 0.0 110.599 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.75 -50.79 6.81 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.91 -37.78 82.11 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.38 -56.66 14.53 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.557 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -55.97 -30.9 62.45 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.073 0.549 . . . . 0.0 112.214 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.87 -33.23 63.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -57.61 -44.45 85.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 177.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.502 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.23 -26.84 61.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.883 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.69 -55.71 11.05 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.27 -23.12 74.7 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -57.97 7.0 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.19 -46.99 75.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.58 -53.87 51.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.23 68.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.422 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.62 -45.94 70.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 123.172 0.295 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.71 -40.09 66.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -61.7 -32.63 72.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -76.05 -44.66 38.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -54.88 -67.76 0.24 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 175.52 -51.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 69.38 -177.53 0.21 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -55.66 -62.41 1.71 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.736 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -162.74 -62.66 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 175.38 -61.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.7 -35.65 66.31 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.43 -47.24 57.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.71 -34.09 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.54 -50.75 16.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.34 -43.88 64.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.429 0.456 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.2 -42.84 99.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.61 -28.44 67.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.98 -38.74 89.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.92 -45.27 82.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.3 -22.71 65.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.09 -43.16 22.25 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.35 -22.28 65.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -74.44 -66.15 0.77 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.8 -36.41 74.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.6 -39.18 56.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.13 -42.27 96.59 Favored Glycine 0 C--N 1.335 0.505 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -50.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.88 -50.2 46.71 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.137 0.575 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.6 -61.72 2.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.361 0.264 . . . . 0.0 111.369 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.26 46.6 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 123.787 0.68 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -69.21 -39.81 78.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.492 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.78 -46.64 52.24 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.52 -49.66 18.41 Favored Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -55.25 -51.89 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HA3' ' A' ' 108' ' ' GLY . . . -61.48 -28.6 69.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.09 -31.19 55.79 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -114.59 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -89.61 -166.43 1.59 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -149.34 81.33 1.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.022 0.826 . . . . 0.0 111.525 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.69 -88.11 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -68.9 -40.98 78.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.17 34.7 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.089 ' HB1' ' HB1' ' A' ' 99' ' ' ALA . . . -51.44 -44.41 62.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 122.618 0.367 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.57 -46.53 80.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -58.96 -40.28 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.693 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.17 -43.22 87.52 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 105.647 -1.982 . . . . 0.0 105.647 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.39 -46.08 62.72 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.231 0.957 . . . . 0.0 110.026 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.49 72.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -46.19 91.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -49.58 -64.69 0.73 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.167 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.54 -46.19 4.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 124.646 1.216 . . . . 0.0 111.926 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -53.86 -39.6 65.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -75.07 -39.91 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.241 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.94 -51.59 67.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.11 -83.58 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -38.6 125.24 1.39 Allowed 'General case' 0 C--N 1.341 0.233 0 O-C-N 125.259 1.6 . . . . 0.0 109.959 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -87.59 155.92 19.74 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.697 -1.138 . . . . 0.0 113.419 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' A' ' 53' ' ' PRO . . . -71.75 -43.12 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.548 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.27 1.72 0.02 OUTLIER Pre-proline 0 N--CA 1.447 -0.59 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.448 ' N ' ' C ' ' A' ' 51' ' ' VAL . . . -70.87 -5.1 16.14 Favored 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 121.928 1.752 . . . . 0.0 110.7 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -139.18 9.61 2.53 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.424 0.69 . . . . 0.0 110.262 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -163.29 167.31 11.72 Favored Pre-proline 0 N--CA 1.45 -0.446 0 CA-C-N 117.687 0.222 . . . . 0.0 111.138 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.513 . . 147.95 -39.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.763 2.975 . . . . 0.0 108.37 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.03 105.11 2.52 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.37 80.07 0.73 Allowed Glycine 0 C--N 1.336 0.53 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -177.54 37.22 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -173.89 -171.96 0.69 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -177.37 -154.44 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 121.232 -0.187 . . . . 0.0 110.985 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -88.88 -93.9 0.11 Allowed 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 123.681 0.613 . . . . 0.0 110.1 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -151.49 165.11 35.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 58.78 85.43 0.18 Allowed Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.527 . . 79.96 176.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 122.233 1.955 . . . . 0.0 107.097 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.97 170.22 13.08 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -80.52 -172.07 3.39 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 86.36 65.02 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.404 1.082 . . . . 0.0 111.381 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 51.12 -163.83 0.06 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.271 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.745 ' O ' ' N ' ' A' ' 72' ' ' ALA . . . -55.16 -69.04 0.14 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.865 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -56.64 61.91 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.745 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -75.65 123.67 25.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 72' ' ' ALA . . . 170.72 -90.83 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 82.15 -175.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 C-N-CA 123.291 0.637 . . . . 0.0 111.585 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.505 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . 169.58 127.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 75' ' ' TRP . . . 91.33 144.02 0.03 OUTLIER 'General case' 0 C--N 1.339 0.112 0 O-C-N 124.606 1.191 . . . . 0.0 110.613 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -46.25 149.49 0.72 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -52.69 -25.9 12.32 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.773 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.7 -54.62 40.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.22 -41.95 76.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.48 -48.47 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.88 65.14 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.25 -63.75 1.05 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.71 -34.94 8.92 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.77 0.669 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.13 -69.56 1.2 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.652 -2.179 . . . . 0.0 107.652 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.01 -48.58 43.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.031 -0.584 . . . . 0.0 111.34 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.53 67.0 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.063 0.459 . . . . 0.0 110.437 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.1 -49.52 63.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.374 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.32 -39.31 82.72 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.237 -0.411 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 94' ' ' ALA . . . -49.27 -48.03 46.27 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.364 0.602 . . . . 0.0 109.417 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -34.6 63.36 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.468 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -50.96 -67.92 1.72 Allowed Glycine 0 CA--C 1.534 1.254 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.534 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.14 60.41 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -64.01 -37.81 88.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.462 0.631 . . . . 0.0 109.43 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.69 -45.02 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.0 -38.7 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.09 -51.53 69.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.33 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -73.04 -36.53 66.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.918 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 1.089 ' HB1' ' HB1' ' A' ' 36' ' ' ALA . . . -62.61 -55.05 30.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.114 0.166 . . . . 0.0 110.807 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -71.37 -70.25 0.33 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.741 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.05 84.07 5.84 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.355 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 49.74 -169.5 0.19 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.719 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 59.35 47.99 10.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 122.403 0.281 . . . . 0.0 111.267 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.23 -27.09 74.07 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.27 -50.73 17.74 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.35 -16.35 64.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.479 ' O ' ' HB3' ' A' ' 110' ' ' ALA . . . -69.95 -68.53 0.41 Allowed 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.504 ' HA3' ' HB1' ' A' ' 28' ' ' ALA . . . -50.45 -39.69 37.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.63 98.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 107' ' ' PHE . . . -61.29 -42.96 99.53 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.876 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -69.14 -19.75 64.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 122.878 0.471 . . . . 0.0 110.931 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -77.84 -34.72 51.72 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.02 -43.2 86.58 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.8 -27.89 64.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 -49.24 49.1 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 120' ' ' ALA . . . -77.41 -21.86 71.74 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.13 -56.0 7.02 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.55 -48.7 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.67 -54.0 47.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 116' ' ' GLY . . . -51.58 -44.53 62.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 123.348 0.405 . . . . 0.0 110.35 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.38 -56.62 18.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -56.85 -41.47 77.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.92 66.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 123.206 0.317 . . . . 0.0 110.157 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -64.62 -45.7 85.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -56.16 -70.83 0.1 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 175.46 -63.45 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 68.35 178.17 0.25 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.12 -179.99 0.13 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.029 -1.463 . . . . 0.0 109.846 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.689 ' O ' ' N ' ' A' ' 4' ' ' LYS . . . 175.47 -179.43 0.13 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -53.5 69.93 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.332 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -158.51 62.7 0.43 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -72.23 -48.46 42.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.91 -42.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.68 -50.6 34.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -49.48 -48.05 48.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.667 0.604 . . . . 0.0 111.298 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.19 -42.14 98.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -31.12 68.73 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.4 93.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.64 -41.61 98.22 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.102 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.25 -27.03 68.71 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.9 -34.91 62.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.11 -38.36 75.6 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -60.46 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.79 -32.01 67.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.54 -77.78 0.15 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 108.501 -1.84 . . . . 0.0 108.501 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.97 -42.38 2.23 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.614 1.102 . . . . 0.0 115.198 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.7 -51.54 69.35 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.665 1.733 . . . . 0.0 108.253 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.4 -48.9 71.05 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.137 0.575 . . . . 0.0 111.993 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.47 -57.77 10.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.79 -18.36 21.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -80.47 -47.79 13.8 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.51 -30.3 68.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.49 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.1 -48.66 6.36 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 31' ' ' PHE . . . -62.31 -35.82 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -42.11 87.15 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.717 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -76.07 0.14 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.92 66.48 9.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 27' ' ' VAL . . . -47.66 151.56 0.83 Allowed 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.726 0.641 . . . . 0.0 111.564 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -160.61 -7.56 0.05 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.447 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 77.02 -51.93 0.56 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.94 0.496 . . . . 0.0 110.282 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.62 -48.9 77.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.008 0.123 . . . . 0.0 110.693 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.6 80.09 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.47 68.5 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -50.5 -48.06 57.05 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.328 0.392 . . . . 0.0 111.051 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.35 -28.81 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -68.99 -45.05 71.58 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.06 -41.55 68.27 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.28 -51.56 67.73 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.33 -36.77 78.73 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.03 -65.92 0.49 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.66 -46.73 2.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.297 1.039 . . . . 0.0 112.799 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.74 -38.82 72.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 49' ' ' THR . . . -71.35 -40.35 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -50.03 -49.32 51.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.806 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.9 -75.47 0.18 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 46' ' ' ILE . . . -39.11 113.57 0.32 Allowed 'General case' 0 C--N 1.343 0.289 0 O-C-N 125.481 1.738 . . . . 0.0 108.804 176.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -86.16 152.64 22.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.81 -1.086 . . . . 0.0 113.548 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -67.84 -39.33 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.71 96.15 0.13 Allowed Pre-proline 0 N--CA 1.447 -0.609 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.517 . . -167.86 -1.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 123.133 2.555 . . . . 0.0 110.276 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -85.31 1.62 47.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . 167.66 171.07 0.1 OUTLIER Pre-proline 0 N--CA 1.454 -0.266 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.523 . . -57.81 -68.68 0.05 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.018 0 N-CA-C 106.469 -2.166 . . . . 0.0 106.469 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' THR . . . -153.67 -178.96 7.37 Favored 'General case' 0 N--CA 1.446 -0.648 1 N-CA-C 100.085 -4.043 . . . . 0.0 100.085 175.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.46 -79.31 0.08 OUTLIER Glycine 0 CA--C 1.522 0.483 0 CA-C-N 121.432 1.924 . . . . 0.0 111.11 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.432 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 57.09 -110.4 0.54 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -66.44 -145.69 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.717 0.407 . . . . 0.0 110.655 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.634 ' HA ' ' O ' ' A' ' 73' ' ' ALA . . . 67.18 65.21 0.43 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -167.45 -38.67 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.229 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -101.66 170.49 8.14 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 123.979 0.799 . . . . 0.0 109.841 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -155.25 -167.38 0.17 Allowed Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.512 . . -175.07 171.31 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 121.722 1.615 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.08 127.03 7.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 69.3 142.5 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 70' ' ' ALA . . . -50.38 -90.44 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.665 0.386 . . . . 0.0 111.631 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 57.31 -82.25 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -81.13 -152.06 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 176.85 31.17 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 121.343 -0.143 . . . . 0.0 110.708 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.88 -33.35 71.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.634 ' O ' ' HA ' ' A' ' 61' ' ' SER . . . -46.31 -65.12 0.6 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.424 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . 153.68 -155.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.241 0 O-C-N 124.412 1.07 . . . . 0.0 110.428 -176.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -139.12 -130.91 0.12 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.33 -61.29 2.33 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -168.03 162.01 12.99 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.35 -34.21 2.89 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 124.095 0.872 . . . . 0.0 111.288 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.01 -55.39 14.61 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.628 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.25 -48.14 74.39 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.68 -48.2 75.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.3 -39.53 65.11 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.46 -66.67 0.35 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.163 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.0 -35.72 3.06 Favored 'General case' 0 C--N 1.341 0.202 0 O-C-N 124.1 0.875 . . . . 0.0 110.739 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.14 -68.93 1.37 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.72 -46.03 40.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.164 0.567 . . . . 0.0 111.019 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.59 49.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.193 0.308 . . . . 0.0 111.009 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.74 -38.34 69.66 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.25 99.21 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 123.731 0.644 . . . . 0.0 110.412 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.28 -43.01 53.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.593 0.711 . . . . 0.0 109.307 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.58 -36.09 63.02 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.359 -1.292 . . . . 0.0 109.68 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.13 -65.09 3.61 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 114.0 -1.455 . . . . 0.0 109.958 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.5 92.84 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -57.41 -39.08 75.4 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 117.217 0.508 . . . . 0.0 109.961 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.98 -41.87 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.51 -48.85 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.14 79.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -59.81 -37.25 78.62 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -53.17 -50.45 64.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.779 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.39 162.38 1.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.93 57.56 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 119.735 -0.174 . . . . 0.0 110.729 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.779 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -100.53 -100.2 2.36 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 106' ' ' ALA . . . -153.1 127.88 9.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.108 0.48 . . . . 0.0 111.418 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.04 -15.66 58.69 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -29.05 35.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.97 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.25 -36.19 66.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.576 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -80.05 -26.54 39.66 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.59 -48.97 6.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.22 -35.2 66.26 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.97 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.76 -54.1 40.61 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.715 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.73 -27.02 67.61 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 122.75 0.42 . . . . 0.0 111.47 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.97 -31.58 61.49 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.55 -41.67 90.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.491 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.64 -27.8 61.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.09 -53.55 36.16 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -77.89 -20.08 74.09 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.11 -59.8 2.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.07 -45.81 93.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.76 -44.84 82.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.39 74.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.77 -52.36 65.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.381 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.705 ' O ' ' O ' ' A' ' 126' ' ' ARG . . . -65.42 -61.45 2.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -48.86 -26.85 2.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.679 0.612 . . . . 0.0 110.603 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -71.16 -53.24 15.19 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -77.57 -53.68 7.31 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.705 ' O ' ' O ' ' A' ' 122' ' ' HIS . . . -160.42 177.55 10.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -171.37 79.5 0.07 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -159.46 -51.57 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.748 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -162.86 55.04 0.2 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -76.62 64.41 2.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -159.28 -33.98 0.06 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.31 -51.08 26.35 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.77 -36.43 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 68' ' ' THR . . . -73.94 -50.48 19.85 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.48 -42.2 64.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.5 0.5 . . . . 0.0 110.277 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.15 94.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.1 -28.0 67.48 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.0 -37.63 88.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -45.16 66.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.16 -24.05 57.5 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.65 -38.58 33.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -23.46 62.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.7 -68.63 0.46 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.38 -30.88 65.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.35 69.13 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.42 -40.35 97.68 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.438 ' CB ' ' CB ' ' A' ' 42' ' ' LYS . . . -57.88 -51.86 67.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.82 -49.13 40.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.202 0.601 . . . . 0.0 111.893 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -66.71 -62.97 1.17 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.619 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -32.84 36.13 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 123.551 0.532 . . . . 0.0 109.902 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.419 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -74.65 -42.38 58.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.751 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -64.76 -44.31 90.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.13 -48.07 21.31 Favored Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.15 -51.14 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.98 63.78 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -67.84 -37.25 81.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.61 -100.59 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.84 -123.46 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -87.25 -160.88 0.63 Allowed 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.72 0.408 . . . . 0.0 110.062 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 51.44 -69.03 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.499 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -46.34 -61.51 1.76 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -53.86 -65.39 0.58 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.2 -70.22 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.7 -61.77 1.93 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.521 0.329 . . . . 0.0 111.733 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.07 -50.49 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 122.878 0.471 . . . . 0.0 112.173 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.97 -42.67 99.39 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.914 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -48.77 -56.95 7.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.83 -56.46 21.97 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' CB ' ' CB ' ' A' ' 20' ' ' SER . . . -61.89 -52.44 64.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.378 -0.201 . . . . 0.0 111.371 -177.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -49.56 -57.14 7.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.33 0.652 . . . . 0.0 109.843 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.93 -45.0 10.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.411 0.444 . . . . 0.0 110.281 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' LEU . . . -57.88 -43.35 85.98 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -52.98 -35.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -66.61 107.05 1.97 Allowed 'General case' 0 CA--C 1.512 -0.487 1 N-CA-C 93.643 -6.429 . . . . 0.0 93.643 170.296 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.84 148.48 28.8 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 119.39 0.995 . . . . 0.0 113.681 -165.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.46 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -80.31 9.07 6.23 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.51 173.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 134.23 56.94 0.0 OUTLIER 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.415 1.886 . . . . 0.0 112.286 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.762 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -62.74 -44.85 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 120.248 1.385 . . . . 0.0 109.529 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.95 62.24 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.543 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.762 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.509 . . -175.77 23.52 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 121.63 1.553 . . . . 0.0 111.111 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -81.55 -24.77 36.37 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -135.07 -178.99 0.96 Allowed Pre-proline 0 C--N 1.341 0.199 0 O-C-N 123.856 0.723 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -51.81 -45.68 36.81 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.904 2.402 . . . . 0.0 110.292 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -72.99 -127.0 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.47 93.04 0.32 Allowed Glycine 0 C--N 1.339 0.75 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 75.19 24.64 1.42 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 122.855 0.462 . . . . 0.0 109.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.717 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 170.65 -176.57 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.426 ' CB ' ' CB ' ' A' ' 75' ' ' TRP . . . -85.14 -164.04 0.93 Allowed 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 123.482 0.489 . . . . 0.0 110.19 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -158.44 68.83 0.48 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 71.26 2.91 4.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.973 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -56.32 -52.73 70.75 Favored Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.508 . . 162.61 -45.58 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 121.934 1.756 . . . . 0.0 109.72 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.91 -113.05 0.3 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 174.01 -62.74 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.425 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . 171.47 -56.98 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -157.97 33.6 0.25 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB1' ' CB ' ' A' ' 74' ' ' ILE . . . -61.39 -21.49 64.11 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . 72.17 125.95 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.251 0.344 . . . . 0.0 110.079 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.758 ' HB1' ' CA ' ' A' ' 126' ' ' ARG . . . 70.07 21.27 6.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.84 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.634 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . 55.15 55.91 7.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.584 ' CB ' ' HB1' ' A' ' 70' ' ' ALA . . . -64.51 29.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.205 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.634 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -93.17 -11.84 31.78 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.339 0.656 . . . . 0.0 110.109 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.88 -164.59 1.16 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 25.86 50.34 0.02 OUTLIER 'General case' 0 C--N 1.34 0.191 0 O-C-N 125.143 1.527 . . . . 0.0 114.557 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.89 -42.57 17.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 123.579 0.55 . . . . 0.0 111.723 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.73 -60.95 2.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.588 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.65 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -50.83 -42.65 58.65 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 123.692 0.62 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.12 -47.39 78.21 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.65 -37.03 74.07 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.38 -62.45 1.65 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.605 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -52.34 -39.68 60.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.28 -63.03 4.29 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 107.136 -2.386 . . . . 0.0 107.136 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -51.3 -40.93 60.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.489 -0.856 . . . . 0.0 109.497 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -53.58 -53.54 50.21 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 123.311 0.382 . . . . 0.0 111.184 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -55.35 -40.57 71.41 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.89 -41.13 86.41 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.99 -39.12 54.9 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.774 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.56 -35.38 67.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.614 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.01 -69.59 1.12 Allowed Glycine 0 CA--C 1.526 0.761 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.871 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.83 91.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.0 67.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.849 0.824 . . . . 0.0 110.396 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -62.73 -37.03 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -54.18 -52.03 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.71 74.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.333 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.99 -40.82 67.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.914 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -53.85 -53.51 51.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -72.71 -45.12 60.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . . . -57.75 -35.77 71.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.113 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 75.76 -162.97 53.32 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 72.88 125.13 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.553 0.341 . . . . 0.0 110.631 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.16 -13.2 83.18 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.03 -55.42 4.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.21 65.92 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -66.6 -66.86 0.5 Allowed 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.26 -37.82 25.11 Favored Glycine 0 C--N 1.337 0.636 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.42 94.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 107' ' ' PHE . . . -60.49 -52.03 66.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.657 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.419 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -61.93 -21.11 64.5 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.18 -37.02 34.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.07 -41.75 75.59 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.774 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.64 -28.42 61.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.07 -43.56 71.67 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.38 -25.33 59.29 Favored Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.75 -43.94 91.71 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.71 -47.44 39.47 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.601 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.88 -52.22 65.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.33 77.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.76 -45.84 70.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.244 0.34 . . . . 0.0 110.089 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.26 -70.92 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -52.68 -25.11 9.98 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 123.248 0.343 . . . . 0.0 110.209 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -61.96 -42.58 99.28 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.489 ' C ' ' H ' ' A' ' 127' ' ' GLU . . . -53.93 -47.73 70.95 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.758 ' CA ' ' HB1' ' A' ' 72' ' ' ALA . . . -75.94 33.76 0.12 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 125' ' ' TYR . . . -61.75 176.11 0.56 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -75.54 -60.77 2.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 116.96 -1.495 . . . . 0.0 109.768 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' CB ' ' CB ' ' A' ' 5' ' ' GLU 2.441 . . . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.32 -58.27 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -68.82 -59.56 3.0 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -173.72 80.1 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' CB ' ' CB ' ' A' ' 1' ' ' ALA . . . -68.45 -54.55 16.25 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.28 -36.03 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.56 -50.67 34.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.75 -47.5 59.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.562 0.539 . . . . 0.0 111.163 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.61 -42.53 97.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.07 -31.67 69.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.16 -37.91 89.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.66 -44.84 92.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.117 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.89 -28.8 67.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -70.9 -40.06 72.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.07 -38.84 92.52 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -56.98 -64.71 0.79 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.17 -33.32 65.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.0 -74.48 0.33 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.79 -42.81 2.21 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 124.504 1.049 . . . . 0.0 114.421 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.86 -51.62 68.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.928 1.364 . . . . 0.0 108.01 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.57 -48.34 77.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.181 0.592 . . . . 0.0 112.521 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.54 -58.22 8.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.835 0.35 . . . . 0.0 110.299 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.08 -20.72 59.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.979 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.12 -42.79 22.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.232 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.95 -31.9 56.93 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.546 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.23 4.67 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.929 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -56.55 -47.98 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.57 -37.08 85.64 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.019 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.15 -30.77 58.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 117.791 0.269 . . . . 0.0 110.508 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -121.72 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -86.93 -155.28 0.27 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -146.33 -171.65 3.78 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.976 0.797 . . . . 0.0 110.553 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 70.74 -85.31 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.672 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.23 -53.86 49.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.929 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -54.9 -49.74 70.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 122.301 0.24 . . . . 0.0 110.806 -178.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.38 63.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.373 0.421 . . . . 0.0 109.935 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.89 -48.88 66.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.225 0.328 . . . . 0.0 110.437 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -38.24 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.534 0.206 . . . . 0.0 111.044 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.89 -42.13 97.53 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.04 -45.5 64.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.009 0.818 . . . . 0.0 109.563 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.02 38.56 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.34 -33.59 72.63 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.6 -60.36 3.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.88 -40.9 2.26 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.774 1.296 . . . . 0.0 110.078 176.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -62.35 -50.34 71.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.94 -44.7 95.06 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -79.06 70.74 5.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 103.369 -2.826 . . . . 0.0 103.369 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -84.04 131.83 34.78 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 -175.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -68.8 61.81 0.1 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 121.321 1.873 . . . . 0.0 106.991 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -167.09 -20.88 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -56.72 120.79 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 119.582 1.083 . . . . 0.0 109.934 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -178.14 39.31 0.02 OUTLIER Pre-proline 0 N--CA 1.447 -0.588 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -153.97 -105.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.053 2.502 . . . . 0.0 108.956 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 55' ' ' PHE . . . 68.36 70.54 0.31 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 54' ' ' LEU . . . 105.28 -177.44 0.0 OUTLIER Pre-proline 0 C--N 1.342 0.264 0 C-N-CA 125.651 1.58 . . . . 0.0 111.22 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.522 . . 74.66 135.5 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.076 0 N-CA-C 106.581 -2.123 . . . . 0.0 106.581 -177.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 52.4 31.61 9.88 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 117.902 0.319 . . . . 0.0 110.63 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.66 68.22 0.04 OUTLIER Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.306 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 68.87 77.95 0.22 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.996 0.398 . . . . 0.0 111.248 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 62' ' ' THR . . . -160.02 178.0 10.16 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -67.47 60.07 0.06 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' SER . . . -176.92 -66.67 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -54.31 -24.69 20.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 178.39 176.14 0.32 Allowed Pre-proline 0 N--CA 1.449 -0.511 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -167.93 43.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.662 1.575 . . . . 0.0 110.096 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.88 58.63 0.33 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -160.7 -155.45 0.42 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -147.43 154.8 41.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 123.634 0.584 . . . . 0.0 110.011 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -178.96 -50.08 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.93 -52.46 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -178.61 105.36 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.94 -55.26 36.83 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.77 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.59 124.17 49.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -102.85 -15.67 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.748 0.819 . . . . 0.0 109.97 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.432 ' O ' ' CB ' ' A' ' 76' ' ' ALA . . . 75.07 94.06 0.07 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 122.946 0.498 . . . . 0.0 110.128 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.873 ' HB1' ' CB ' ' A' ' 80' ' ' ASP . . . 137.52 108.34 0.0 OUTLIER 'General case' 0 C--N 1.342 0.277 0 O-C-N 125.579 1.799 . . . . 0.0 106.966 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -57.62 -179.26 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.491 0.316 . . . . 0.0 110.992 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.37 -45.47 17.77 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.973 0.509 . . . . 0.0 111.877 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.96 -56.36 17.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.873 ' CB ' ' HB1' ' A' ' 76' ' ' ALA . . . -53.27 -31.34 43.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.63 -57.87 11.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.37 -6.4 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -80.57 -74.27 0.32 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -47.23 -37.39 10.34 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 123.864 0.728 . . . . 0.0 110.462 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.9 -63.68 4.79 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.849 -2.9 . . . . 0.0 105.849 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.37 -47.68 18.68 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 124.606 0.827 . . . . 0.0 110.89 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.48 -55.1 28.19 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.379 0.272 . . . . 0.0 111.505 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.6 -44.65 73.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.55 -42.2 78.12 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.62 -44.13 57.11 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.551 0.691 . . . . 0.0 109.165 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -71.65 -36.89 70.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.507 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.34 -67.14 2.37 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.531 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.92 98.21 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.38 -38.61 66.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.215 0.508 . . . . 0.0 110.177 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.27 -41.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.24 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.06 -57.39 13.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.15 63.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.48 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.99 -52.2 66.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.32 -41.47 62.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.518 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.95 -104.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.25 36.7 0.02 OUTLIER Glycine 0 C--N 1.336 0.572 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -101.12 90.86 4.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.668 0.787 . . . . 0.0 110.006 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.1 -25.59 57.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.85 36.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.54 -34.91 65.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.321 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.01 -28.17 39.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.87 -46.65 10.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.87 70.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.57 -53.14 56.42 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.46 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.3 -28.99 68.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 122.354 0.262 . . . . 0.0 111.037 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.01 -32.95 65.46 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.84 -45.24 95.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.638 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.65 -28.02 67.36 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.12 52.61 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 108.859 -1.697 . . . . 0.0 108.859 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.6 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -55.48 -65.89 3.23 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -47.44 -64.76 0.7 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.879 0.339 . . . . 0.0 111.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -57.45 -70.57 0.12 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.29 -67.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -48.27 -39.85 22.88 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 125' ' ' TYR . . . -58.62 -50.47 73.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -63.84 -45.91 87.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -45.95 -57.05 4.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.353 0.661 . . . . 0.0 112.183 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -80.03 -52.69 7.51 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.403 ' CB ' ' O ' ' A' ' 121' ' ' CYS . . . -69.16 58.06 0.1 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . 175.69 -175.86 0.1 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.91 60.94 0.19 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.95 179.56 7.49 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.764 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -59.1 -60.59 3.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 70.82 -174.96 0.18 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -174.92 81.86 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.14 -51.12 33.93 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.94 -40.83 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.511 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -50.36 35.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.61 -47.57 66.87 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 123.446 0.466 . . . . 0.0 110.714 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.34 -39.16 92.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.2 -28.42 67.96 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -67.05 -39.48 86.92 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.28 -45.36 91.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.76 -28.06 67.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.63 -31.31 61.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.9 -36.8 75.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.05 -65.11 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.39 -34.99 67.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.97 -73.72 0.41 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.81 -41.79 1.95 Allowed Glycine 0 C--N 1.338 0.692 0 C-N-CA 124.332 0.968 . . . . 0.0 114.476 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.12 -55.81 29.36 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 118.959 1.38 . . . . 0.0 108.384 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.28 -48.06 46.32 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.601 0.761 . . . . 0.0 113.007 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.21 -57.48 6.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.71 -29.25 67.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.2 -28.03 38.73 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.699 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.19 -61.25 1.96 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.064 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.63 -38.96 96.73 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.648 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -65.22 -36.24 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -71.75 -40.23 69.49 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.55 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -79.99 -26.45 39.91 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.19 -117.7 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -92.48 -156.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -155.68 77.61 0.98 Allowed 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.533 0.521 . . . . 0.0 110.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.72 -91.97 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.65 -53.56 55.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.648 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -55.41 -48.98 73.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 117.616 0.189 . . . . 0.0 110.816 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.36 56.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.452 0.47 . . . . 0.0 110.052 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.72 -49.61 62.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 123.326 0.391 . . . . 0.0 110.64 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.75 -35.98 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.546 0.212 . . . . 0.0 111.071 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.47 -42.85 95.67 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.691 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -52.18 -45.11 64.99 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.074 0.859 . . . . 0.0 109.185 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.6 -54.26 43.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.53 -32.96 73.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.01 -60.61 3.13 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.66 -44.21 3.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 124.643 1.215 . . . . 0.0 110.144 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.93 -46.14 74.91 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 177.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.3 -37.03 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.36 5.91 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 102.505 -3.146 . . . . 0.0 102.505 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.88 -136.45 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -172.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.92 -148.82 0.08 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 103.049 -2.945 . . . . 0.0 103.049 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -84.45 111.02 19.09 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -55.08 -35.35 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' C ' ' H ' ' A' ' 54' ' ' LEU . . . -51.23 -31.5 5.69 Favored Pre-proline 0 N--CA 1.451 -0.389 0 O-C-N 123.721 0.638 . . . . 0.0 110.002 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.505 . . -63.87 2.66 0.95 Allowed 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.225 1.95 . . . . 0.0 111.056 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 52' ' ' ALA . . . -73.13 -26.97 61.41 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -132.61 175.2 3.89 Favored Pre-proline 0 C--N 1.34 0.157 0 O-C-N 124.064 0.852 . . . . 0.0 109.372 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.507 . . -53.44 -40.39 78.62 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.446 2.098 . . . . 0.0 109.23 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.27 27.17 0.06 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.76 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 102.45 25.26 7.85 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 53.95 -62.59 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.76 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 73.74 73.6 0.12 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.557 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -73.35 -177.51 2.61 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -166.93 27.38 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 54.52 54.8 8.81 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.427 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -77.55 -97.22 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.481 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -81.91 -82.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.474 2.116 . . . . 0.0 109.602 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.14 173.98 33.42 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 173.86 171.7 0.18 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -127.87 126.47 41.64 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 124.16 0.913 . . . . 0.0 109.643 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.744 ' CB ' ' HB2' ' A' ' 72' ' ' ALA . . . 174.84 48.7 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 55.13 64.54 1.76 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . . . 55.74 47.48 20.36 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.744 ' HB2' ' CB ' ' A' ' 69' ' ' GLU . . . -57.95 -35.25 70.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.361 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -80.15 -11.84 59.71 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.448 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 6.56 51.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.343 0.3 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.522 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -58.34 155.66 11.39 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 164.82 -51.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 157.66 101.85 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.8 -39.61 5.43 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 123.779 0.674 . . . . 0.0 111.704 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.666 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.68 -45.58 89.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.46 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.46 -52.27 65.33 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.46 -38.36 34.59 Favored Glycine 0 C--N 1.339 0.703 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -64.72 0.74 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -41.31 -36.1 0.75 Allowed 'General case' 0 C--N 1.34 0.191 0 O-C-N 124.49 1.119 . . . . 0.0 111.338 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.88 -69.38 1.28 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.12 -49.43 16.67 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 124.749 0.911 . . . . 0.0 110.995 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.97 -54.81 29.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.528 0.331 . . . . 0.0 111.417 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.38 -44.6 72.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.05 -42.45 85.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.283 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 94' ' ' ALA . . . -51.42 -49.1 62.31 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.309 0.576 . . . . 0.0 110.309 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -72.08 -34.52 68.75 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.014 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.93 -67.55 2.15 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.04 91.4 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.839 -0.505 . . . . 0.0 111.839 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -67.24 -34.7 78.0 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 117.649 0.725 . . . . 0.0 110.219 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.574 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -67.27 -43.36 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -66.86 -37.84 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -53.77 42.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -64.23 -31.42 72.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.691 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.12 1.78 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.15 -38.96 42.47 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -77.8 -146.05 2.6 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.06 -178.26 4.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.986 0.914 . . . . 0.0 109.104 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.52 -19.16 74.36 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.08 35.63 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -74.87 -34.48 62.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.836 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -79.14 -26.62 42.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.64 -44.75 11.96 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.09 63.99 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.34 77.32 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -59.74 -32.83 70.92 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 122.772 0.429 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.31 -27.27 62.33 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.91 -43.69 98.32 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -71.68 -25.45 62.11 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.909 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.53 -54.9 17.05 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.577 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -75.34 -21.78 77.07 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.3 -60.43 2.99 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.65 -47.54 80.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.31 -40.52 78.05 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -57.92 -45.47 86.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.57 -45.94 77.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 125' ' ' TYR . . . -66.62 -63.34 1.09 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -50.71 -24.55 3.47 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.4 0.438 . . . . 0.0 110.725 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -78.2 -65.9 0.92 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.743 ' O ' ' N ' ' A' ' 127' ' ' GLU . . . -77.99 -177.85 5.22 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.425 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . 55.27 -63.95 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.743 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -72.69 60.19 0.49 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -63.53 179.16 0.49 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 116.982 -1.485 . . . . 0.0 109.759 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 64.48 178.46 0.18 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -71.76 179.81 2.97 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 70.51 77.75 0.19 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.14 -48.91 49.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.08 -40.93 89.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.257 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.9 -51.43 26.2 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.47 -45.24 56.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.647 0.592 . . . . 0.0 110.87 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.79 -44.78 96.38 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.19 -30.59 68.31 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.59 -38.17 89.1 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.3 -43.33 77.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.189 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.9 -40.57 46.88 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.99 -30.62 70.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.79 -67.43 0.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.08 -30.55 66.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.74 -24.82 76.63 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -40.64 25.56 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.684 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.06 -49.67 76.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.31 -45.81 83.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.475 0.71 . . . . 0.0 112.675 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.98 -64.28 0.89 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 120.775 0.321 . . . . 0.0 110.618 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -18.6 11.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.684 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.22 -48.1 13.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.85 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.87 -28.81 65.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.405 0.282 . . . . 0.0 111.41 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.17 -49.52 5.89 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.98 -47.11 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.06 96.78 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.56 -24.59 49.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.13 -138.3 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.03 101.62 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -177.04 -92.13 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 166.05 -37.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.39 -48.1 81.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.301 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.96 -52.32 66.0 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 122.051 0.14 . . . . 0.0 110.735 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -51.34 39.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.427 0.455 . . . . 0.0 110.666 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.626 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.6 -47.93 66.6 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 123.314 0.384 . . . . 0.0 109.975 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -57.51 -39.36 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.13 -42.31 99.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.04 -45.85 61.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.05 0.844 . . . . 0.0 109.598 178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -49.71 68.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.59 -35.52 76.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.49 -56.14 23.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -41.87 -47.77 4.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.382 1.051 . . . . 0.0 110.781 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -53.38 -46.16 69.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.817 0.28 . . . . 0.0 110.857 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -64.61 -43.36 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.98 66.57 2.84 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 101.757 -3.423 . . . . 0.0 101.757 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.63 -139.16 0.06 Allowed 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -173.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.95 -147.83 0.07 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 102.835 -3.024 . . . . 0.0 102.835 170.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -81.17 103.17 10.78 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 174.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -69.24 -40.2 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 64.75 -36.24 0.0 OUTLIER Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.683 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . 70.79 49.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 123.14 2.56 . . . . 0.0 112.226 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 142.18 -172.8 0.0 OUTLIER 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.528 1.531 . . . . 0.0 109.502 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -152.0 35.09 0.08 OUTLIER Pre-proline 0 N--CA 1.452 -0.328 0 O-C-N 123.804 0.69 . . . . 0.0 109.846 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.507 . . 51.73 -91.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.712 2.275 . . . . 0.0 110.803 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 83.51 0.39 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.051 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.15 59.61 0.06 OUTLIER Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 67.55 46.68 1.32 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -169.09 83.42 0.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 167.76 -81.07 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -83.83 -154.9 0.17 Allowed 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -159.95 83.02 0.72 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -57.24 -44.28 99.6 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -155.21 -93.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 123.039 2.492 . . . . 0.0 107.929 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -150.38 57.08 0.46 Allowed Glycine 0 C--N 1.337 0.612 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -62.87 -175.6 0.1 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 68.5 165.58 0.25 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -56.8 -41.44 77.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.76 ' O ' ' O ' ' A' ' 125' ' ' TYR . . . 171.39 55.82 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . -162.78 44.02 0.13 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.52 -44.93 69.54 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.14 124.13 49.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -100.51 -15.82 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 123.815 0.846 . . . . 0.0 109.7 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.535 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . 74.15 98.27 0.07 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.917 0.487 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 163.23 -137.77 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 124.242 0.964 . . . . 0.0 108.847 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -166.58 163.15 16.93 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.23 -42.05 6.27 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.239 0.472 . . . . 0.0 112.098 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.4 -62.29 1.46 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.09 -45.3 64.78 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.822 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.1 -50.19 71.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.99 -38.87 56.18 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.08 -66.15 0.45 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.96 -35.8 3.06 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 123.921 0.763 . . . . 0.0 111.224 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.67 -74.51 0.31 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.34 -46.26 12.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 124.249 0.617 . . . . 0.0 111.222 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.95 -46.67 71.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.66 -47.79 70.04 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -62.14 -35.05 77.58 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.986 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.85 -49.73 65.2 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.7 -37.22 62.68 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.366 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.2 -64.38 4.06 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.35 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.04 67.44 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 123.207 0.432 . . . . 0.0 112.21 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.31 -32.24 72.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 117.556 0.678 . . . . 0.0 109.935 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.9 -46.02 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -72.25 -38.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.82 -54.97 41.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.662 ' HB1' ' CB ' ' A' ' 106' ' ' ALA . . . -66.84 -56.91 8.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.615 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -51.28 -49.86 60.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.509 0.324 . . . . 0.0 111.736 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -65.08 -51.59 60.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.47 12.95 0.1 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.28 102.68 0.67 Allowed Glycine 0 C--N 1.337 0.634 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.61 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . 171.41 67.73 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.54 -27.43 58.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 -32.68 35.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.662 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -71.14 -33.13 69.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.615 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -65.45 -66.32 0.56 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.75 62.63 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.029 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.1 -59.54 2.96 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.938 0.369 . . . . 0.0 111.585 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.527 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -59.55 -48.52 81.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.002 0.429 . . . . 0.0 109.875 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.41 -22.6 66.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.968 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.0 -34.64 64.26 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.52 -43.9 96.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.534 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -67.35 -28.03 67.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.15 -55.34 16.52 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.12 -20.1 76.19 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.23 -60.34 2.28 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.0 -46.82 82.83 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.22 -59.47 4.51 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.89 -61.24 1.82 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 123.573 0.546 . . . . 0.0 111.831 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.0 -61.07 2.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -52.9 -56.96 12.06 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -47.88 -49.69 28.92 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.17 0.588 . . . . 0.0 111.909 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -58.17 -40.61 81.87 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.76 ' O ' ' O ' ' A' ' 70' ' ' ALA . . . -61.85 57.45 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.626 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . -176.91 -52.07 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.2 176.91 10.14 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.35 -58.96 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.022 -1.466 . . . . 0.0 109.79 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 55.92 58.82 4.13 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -161.67 -160.9 0.74 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -158.58 57.74 0.44 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.79 -32.03 46.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -65.73 -52.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.797 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.8 -50.73 40.13 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.77 -49.16 58.87 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 123.647 0.592 . . . . 0.0 111.026 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.66 -39.59 88.93 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.3 -32.1 70.9 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.37 -39.33 94.24 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.16 -41.19 99.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.833 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -63.31 -27.44 69.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.66 -39.46 67.1 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.17 -38.16 89.65 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.27 -64.22 1.02 Allowed 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.4 -31.45 63.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.67 -75.2 0.29 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.53 -42.53 1.95 Allowed Glycine 0 C--N 1.339 0.723 0 C-N-CA 124.26 0.933 . . . . 0.0 114.67 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -61.69 -54.72 38.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.656 1.728 . . . . 0.0 108.823 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -48.5 -52.64 21.45 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.594 0.758 . . . . 0.0 113.009 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.91 -52.75 58.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.39 -26.25 66.36 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.048 0.451 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.435 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.16 -35.32 36.7 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.6 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.57 -59.04 3.42 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.238 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.78 97.12 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.139 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.46 -33.86 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 118.105 0.952 . . . . 0.0 108.957 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.97 64.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.56 -15.99 55.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.572 0.349 . . . . 0.0 110.202 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -140.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.421 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 178.17 60.45 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -143.33 -99.4 0.12 Allowed 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 123.919 0.762 . . . . 0.0 109.06 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 170.73 -37.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.93 -55.13 29.79 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.565 0.346 . . . . 0.0 111.761 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -50.73 65.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.303 0.241 . . . . 0.0 111.289 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.39 -55.51 12.75 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.447 0.467 . . . . 0.0 110.889 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.08 -52.34 44.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.246 0.341 . . . . 0.0 111.174 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -62.05 -37.09 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 120.58 0.228 . . . . 0.0 111.085 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.83 -44.35 93.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -50.57 -44.44 56.75 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.037 0.835 . . . . 0.0 109.453 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -54.42 -51.3 65.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.96 -32.44 72.87 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.15 -57.56 11.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.98 -42.37 1.36 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 125.104 1.502 . . . . 0.0 109.295 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.88 -45.98 82.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 121.738 -0.602 . . . . 0.0 111.079 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.3 -44.48 83.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.57 84.65 3.25 Favored 'General case' 0 CA--C 1.514 -0.406 1 N-CA-C 98.263 -4.717 . . . . 0.0 98.263 174.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.37 178.78 8.17 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -81.63 15.62 2.06 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 111.788 -2.46 . . . . 0.0 109.855 177.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 122.29 71.74 0.0 OUTLIER 'General case' 0 C--N 1.353 0.738 0 C-N-CA 127.146 2.178 . . . . 0.0 108.073 -177.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -81.89 -47.51 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 73.87 -43.36 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.317 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -178.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 54' ' ' LEU 2.509 . . 85.02 42.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.883 2.389 . . . . 0.0 111.998 178.251 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 140.92 -178.01 0.0 OUTLIER 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.837 1.655 . . . . 0.0 108.573 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -179.36 165.04 0.95 Allowed Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 58' ' ' GLY . . . 56.82 74.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 121.584 1.523 . . . . 0.0 108.647 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.89 6.29 0.09 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.795 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 56' ' ' PRO . . . 93.16 133.82 6.7 Favored Glycine 0 C--N 1.338 0.672 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -67.05 -110.88 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.927 0.363 . . . . 0.0 111.713 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 43.75 -105.65 0.08 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.533 0.733 . . . . 0.0 112.218 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 69.69 140.68 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.77 -101.26 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 64.07 76.75 0.34 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 69.48 -5.27 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.482 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.51 . . -67.27 -173.95 0.48 Allowed 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 121.947 1.765 . . . . 0.0 109.618 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.69 -32.92 0.63 Allowed Glycine 0 C--N 1.339 0.722 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -64.01 -178.28 0.32 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.454 ' C ' ' H ' ' A' ' 70' ' ' ALA . . . 59.25 171.32 0.07 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.636 0.374 . . . . 0.0 111.611 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -81.09 25.57 0.47 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 68' ' ' THR . . . 55.63 -90.52 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 48.51 26.24 1.13 Allowed 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.574 0.546 . . . . 0.0 111.758 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 74' ' ' ILE . . . 65.83 48.11 1.93 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 178.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 33.52 19.52 0.0 OUTLIER 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.498 1.119 . . . . 0.0 113.995 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.6 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . 51.52 85.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.527 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -130.75 139.61 50.26 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 164.62 -51.3 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -177.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 151.39 109.89 0.0 OUTLIER 'General case' 0 C--N 1.341 0.225 0 O-C-N 125.009 1.443 . . . . 0.0 108.618 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.55 -37.32 12.0 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.56 0.344 . . . . 0.0 111.815 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -64.91 -44.65 88.87 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.622 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -61.8 -45.12 95.21 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.57 -48.23 77.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -49.77 -41.14 34.95 Favored Glycine 0 C--N 1.339 0.701 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.96 -65.65 0.53 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.188 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.31 -36.07 0.31 Allowed 'General case' 0 C--N 1.342 0.271 0 O-C-N 125.084 1.49 . . . . 0.0 110.383 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.74 -72.19 0.64 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 106.259 -2.737 . . . . 0.0 106.259 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.6 -54.79 3.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 112.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.62 -53.54 45.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -38.86 74.31 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.86 -41.74 92.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.361 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.38 -57.25 13.09 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.282 0.233 . . . . 0.0 110.891 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 110' ' ' ALA . . . -68.29 -32.18 72.14 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.72 -65.96 3.13 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.94 -39.42 96.48 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -25.3 62.07 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 117.775 0.787 . . . . 0.0 110.564 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.404 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -73.85 -39.53 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -68.47 -33.27 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . -69.26 -46.01 68.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.824 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.788 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -77.49 -29.66 52.7 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.764 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -66.42 -49.2 67.54 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.75 -59.52 2.74 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 97' ' ' ALA . . . -75.02 158.13 33.73 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.603 0.239 . . . . 0.0 110.431 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -52.09 90.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.788 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 176.42 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.37 -23.04 57.42 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.92 -69.53 0.3 Allowed 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -62.96 -10.89 15.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . . . -77.99 -34.31 50.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.55 42.43 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 108.376 -1.889 . . . . 0.0 108.376 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.7 62.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.639 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.02 -50.33 62.44 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -71.01 -24.49 62.38 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -66.82 -45.29 78.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.33 -39.61 94.25 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.594 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -59.78 -40.66 89.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.22 -51.77 56.09 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -54.44 -69.42 1.25 Allowed Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.98 -67.45 0.28 Allowed 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.11 -68.08 0.36 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -50.49 -66.74 0.34 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.944 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -47.3 -52.74 15.43 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 123.685 0.616 . . . . 0.0 111.323 -178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 124' ' ' ASP . . . -37.76 -63.05 0.49 Allowed 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 114.515 -2.659 . . . . 0.0 105.163 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -60.77 -70.5 0.18 Allowed 'General case' 0 C--N 1.351 0.635 0 O-C-N 127.73 3.144 . . . . 0.0 111.903 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 120' ' ' ALA . . . -71.77 77.35 0.86 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 102.88 -3.007 . . . . 0.0 102.88 173.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.516 ' HA ' ' O ' ' A' ' 121' ' ' CYS . . . -30.08 111.0 0.07 Allowed 'General case' 0 CA--C 1.483 -1.623 1 C-N-CA 133.087 4.555 . . . . 0.0 121.394 -156.478 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -80.12 -43.72 21.2 Favored 'General case' 0 N--CA 1.448 -0.528 1 CA-C-N 107.05 -4.613 . . . . 0.0 109.268 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -54.1 -31.29 51.53 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.308 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.19 76.07 0.47 Allowed 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.008 0.193 . . . . 0.0 110.639 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -79.29 -177.36 5.67 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.984 -1.484 . . . . 0.0 109.798 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -178.95 -58.4 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -72.06 -170.11 0.56 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 71.2 76.14 0.18 Allowed 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.41 -45.9 61.57 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.12 -39.16 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.88 -48.93 56.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.56 -44.45 69.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 123.476 0.485 . . . . 0.0 110.023 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.88 99.45 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.41 -29.26 68.86 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.57 -38.73 92.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.91 -45.73 73.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -57.4 -27.37 62.3 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.45 -39.61 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.73 -27.85 67.95 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.35 -68.45 0.39 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.38 -31.74 67.93 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.75 71.84 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.36 -40.3 33.76 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.26 -51.36 69.67 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.56 -38.08 71.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.893 0.477 . . . . 0.0 110.721 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.97 -66.38 0.55 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.352 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -54.7 -22.71 14.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.927 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.683 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.21 -43.74 20.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.92 -32.82 65.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.81 4.73 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 108.546 -1.822 . . . . 0.0 108.546 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CB ' ' O ' ' A' ' 23' ' ' ALA . . . -59.44 -45.75 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -58.72 -41.07 85.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.177 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -71.13 -30.65 66.76 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.98 -136.48 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -173.58 78.74 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.75 -160.23 0.95 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.72 -26.69 0.73 Allowed 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.928 0.767 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -61.6 -45.85 92.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.44 81.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.34 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.36 -50.76 58.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.266 0.354 . . . . 0.0 110.972 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -55.24 -47.63 75.1 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.98 -42.66 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.57 -42.04 98.34 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -50.99 -53.48 32.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.736 0.648 . . . . 0.0 110.523 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.32 -44.71 65.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.37 -48.25 82.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.58 -63.01 1.29 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.261 0.625 . . . . 0.0 112.005 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.847 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -49.43 -48.25 47.49 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.43 -52.16 42.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.44 -69.78 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.5 -40.93 98.36 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -175.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.86 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -70.22 -157.29 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.68 60.01 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 125.092 1.495 . . . . 0.0 111.898 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.86 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -155.12 -32.49 0.1 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -50.26 -58.52 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 123.083 0.553 . . . . 0.0 111.452 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.64 163.78 1.83 Allowed Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . 72.81 8.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.368 2.045 . . . . 0.0 111.447 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -56.32 -31.52 63.78 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.446 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -157.51 -153.14 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.345 0 O-C-N 123.136 0.273 . . . . 0.0 111.21 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.496 . . -67.68 -129.97 0.01 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.754 2.303 . . . . 0.0 112.167 -178.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.87 7.56 39.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.482 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.82 -55.82 0.02 OUTLIER Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.619 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.446 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 67.73 59.06 0.48 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 172.98 -73.83 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 71.72 -144.91 0.06 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.657 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -65.12 -157.76 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.452 0.301 . . . . 0.0 110.866 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -74.24 -82.1 0.06 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.289 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 68.34 61.61 0.68 Allowed Pre-proline 0 N--CA 1.449 -0.489 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.505 . . -58.71 178.94 0.21 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.394 2.062 . . . . 0.0 111.187 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.45 52.24 32.04 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 175.5 168.07 0.35 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 60.36 177.22 0.09 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.757 0.313 . . . . 0.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -58.52 -39.32 79.79 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.46 -77.87 0.06 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 169.89 -47.08 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.0 163.09 0.1 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.144 0.497 . . . . 0.0 111.606 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 125' ' ' TYR . . . -64.77 14.72 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -55.98 94.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.507 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -168.52 -156.0 0.16 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 75' ' ' TRP . . . 73.74 -96.99 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 118.483 0.583 . . . . 0.0 109.441 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.501 ' C ' ' N ' ' A' ' 79' ' ' ASP . . . -145.85 117.5 8.09 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 123.885 0.741 . . . . 0.0 112.307 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.8 -13.77 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.184 0.927 . . . . 0.0 108.759 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 77' ' ' ASN . . . -74.19 -43.13 58.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -65.04 -49.89 68.34 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.96 -48.7 77.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.19 -39.41 42.32 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.55 -66.93 0.31 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.691 -0.671 . . . . 0.0 109.26 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.81 -34.92 0.29 Allowed 'General case' 0 C--N 1.343 0.311 0 O-C-N 124.526 1.141 . . . . 0.0 110.901 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.2 -70.9 0.84 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 106.375 -2.69 . . . . 0.0 106.375 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.64 -52.34 8.27 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.373 0.69 . . . . 0.0 111.724 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.08 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.424 0.289 . . . . 0.0 110.823 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.92 -49.15 66.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.2 -33.63 72.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 122.365 0.266 . . . . 0.0 111.062 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.41 -53.81 53.91 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.725 0.693 . . . . 0.0 110.229 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.533 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -72.0 -35.23 69.41 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.706 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.88 -61.8 6.95 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.78 93.38 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.5 -29.78 66.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 117.791 0.796 . . . . 0.0 109.07 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -66.03 -44.7 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.567 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . . . -63.94 -33.6 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.1 96.76 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 106' ' ' ALA . . . -66.31 -36.32 82.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 37' ' ' LYS . . . -58.67 -52.84 63.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.35 -49.84 73.22 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -14.97 14.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.344 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.97 20.83 72.45 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.629 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -87.56 89.18 7.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.74 -29.69 67.75 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.5 -29.24 37.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.848 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . . . -76.89 -29.49 55.8 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -67.92 -63.8 0.99 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -58.37 -30.66 65.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.96 -58.51 3.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.828 0.314 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -63.44 -48.22 78.64 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -65.18 -25.79 67.88 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.579 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -71.82 -35.73 70.02 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.55 -43.63 98.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.533 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -64.05 -29.65 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.58 11.83 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -67.08 -19.47 70.05 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.85 -65.0 0.82 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.82 -49.1 77.66 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.953 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.68 -68.06 0.21 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.253 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -52.16 -29.52 22.53 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 123.131 0.269 . . . . 0.0 111.445 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -62.87 -48.92 76.92 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.37 -41.8 60.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.399 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -46.85 -49.88 19.44 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.288 0.635 . . . . 0.0 111.529 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -74.76 -52.07 12.47 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.538 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . . . -80.0 66.01 5.34 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.017 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -179.6 -177.44 0.42 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 56.31 -165.94 0.13 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.37 -61.09 0.05 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.958 -1.496 . . . . 0.0 109.811 -179.93 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -55.91 -60.02 4.07 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 52.87 58.18 5.61 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.214 0.321 . . . . 0.0 110.498 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . -55.33 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -70.61 -51.32 28.95 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.57 -42.44 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.391 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -70.07 -51.46 31.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.38 -46.91 62.97 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 123.63 0.581 . . . . 0.0 110.9 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.41 -41.91 97.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -29.85 67.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.47 -38.55 90.13 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -66.04 -46.81 76.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.177 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.49 -28.54 65.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.67 -41.01 65.84 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -63.01 -34.46 77.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.23 -65.8 0.63 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.92 -38.34 70.13 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.55 -21.8 74.74 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.55 -40.26 27.89 Favored Glycine 0 C--N 1.335 0.521 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.36 -49.52 76.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.28 -53.21 37.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.4 0.68 . . . . 0.0 112.524 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.39 -57.03 14.5 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.702 0.287 . . . . 0.0 110.855 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -22.3 59.79 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.778 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.31 -42.54 22.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.819 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.04 -36.87 64.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.613 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.35 -50.23 6.83 Favored Glycine 0 C--N 1.336 0.565 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' CB ' ' CB ' ' A' ' 35' ' ' ALA . . . -60.58 -33.66 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -64.07 -41.79 97.21 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.923 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -73.61 -26.49 60.82 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.71 -143.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.164 0.186 . . . . 0.0 111.373 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -135.81 -61.12 0.72 Allowed 'General case' 0 C--N 1.34 0.192 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -48.93 174.93 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.072 0.549 . . . . 0.0 111.908 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 103' ' ' ASP . . . -116.71 -4.78 11.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.967 0.907 . . . . 0.0 110.21 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -57.14 -48.18 79.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' CB ' ' CB ' ' A' ' 27' ' ' VAL . . . -62.26 -52.17 64.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB2' ' HA2' ' A' ' 104' ' ' GLY . . . -49.59 -53.91 21.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.84 0.456 . . . . 0.0 111.113 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.85 -45.37 70.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.12 -34.45 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.0 -44.72 79.62 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.59 -45.66 66.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.015 0.822 . . . . 0.0 109.374 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.1 66.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.47 -36.26 81.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.51 -66.11 0.47 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.86 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -41.32 -40.92 1.8 Allowed 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 124.62 1.2 . . . . 0.0 110.214 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -55.5 -42.08 73.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.642 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -69.55 -45.55 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.522 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -70.47 -29.89 66.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.86 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -52.72 -62.67 1.5 Allowed 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.68 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.38 139.68 35.16 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -126.68 39.53 3.91 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 124.391 1.057 . . . . 0.0 110.319 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 63.3 -150.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 101.441 -3.54 . . . . 0.0 101.441 -176.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 62.64 28.88 0.05 OUTLIER Pre-proline 0 N--CA 1.448 -0.54 0 CA-C-N 121.482 1.946 . . . . 0.0 108.628 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -161.54 -27.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 121.951 1.767 . . . . 0.0 110.17 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -133.87 -19.97 2.01 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.847 0.859 . . . . 0.0 110.102 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -102.83 120.35 52.88 Favored Pre-proline 0 C--N 1.342 0.25 0 C-N-CA 123.508 0.723 . . . . 0.0 109.852 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.509 . . 158.43 -145.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.206 1.937 . . . . 0.0 109.926 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.94 101.13 0.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.32 42.17 2.09 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -158.58 -4.47 0.08 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.567 -0.254 . . . . 0.0 111.061 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 172.8 -131.15 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -54.04 123.0 11.32 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 172.57 -23.32 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.745 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 87.01 -148.45 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 124.227 0.955 . . . . 0.0 108.837 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 67.49 60.59 0.81 Allowed Pre-proline 0 N--CA 1.449 -0.497 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.515 . . 76.39 -114.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 122.049 1.833 . . . . 0.0 109.125 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -152.2 76.25 0.23 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 109.604 -1.399 . . . . 0.0 109.604 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -65.57 -171.15 0.08 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 85.59 127.71 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.131 0.973 . . . . 0.0 109.334 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . -53.71 -69.55 0.12 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -52.9 56.77 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 72' ' ' ALA . . . 70.27 151.48 0.1 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 71' ' ' LYS . . . 167.82 -170.19 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.316 0.579 . . . . 0.0 111.212 -178.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.624 ' HB3' ' C ' ' A' ' 125' ' ' TYR . . . -67.46 -1.09 4.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.854 -1.067 . . . . 0.0 110.691 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -75.02 19.29 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 118.826 -0.606 . . . . 0.0 111.825 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -128.67 74.33 1.56 Allowed 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.803 0.841 . . . . 0.0 108.903 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 174.44 14.42 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.416 ' H ' ' H ' ' A' ' 76' ' ' ALA . . . -164.78 58.49 0.13 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.13 -30.71 2.02 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.155 0.909 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.99 -53.75 34.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.9 -49.32 78.24 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.32 -55.72 25.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.37 -37.66 40.11 Favored Glycine 0 C--N 1.337 0.602 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -65.31 0.59 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.45 -36.72 3.04 Favored 'General case' 0 C--O 1.226 -0.149 0 O-C-N 123.961 0.788 . . . . 0.0 111.183 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.26 -72.97 0.46 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -43.71 -46.3 7.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.631 0.842 . . . . 0.0 110.992 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.25 67.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.223 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.8 -52.25 42.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.781 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.44 -36.9 79.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.935 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.03 -52.95 37.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.999 0.428 . . . . 0.0 110.013 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.48 -34.46 63.11 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.417 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.19 -67.42 2.22 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.96 93.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.59 75.59 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.42 -45.0 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 122.933 0.493 . . . . 0.0 110.673 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -66.41 -35.17 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.42 22.35 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.372 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -71.59 -38.65 70.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.187 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.519 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -57.27 -56.01 27.35 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -54.33 -49.45 69.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.15 -18.26 50.23 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -111.08 -120.39 4.03 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.729 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . . . -179.83 -162.38 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.52 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -50.26 -30.92 18.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.7 -75.33 0.08 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.69 0.281 . . . . 0.0 111.399 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.37 94.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.488 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -64.21 -47.48 79.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.281 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.36 -34.9 82.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.98 -58.68 3.78 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.187 0.518 . . . . 0.0 109.791 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.28 -37.16 74.46 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.58 -29.2 68.5 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.053 0.541 . . . . 0.0 111.606 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.91 -30.8 61.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.79 -49.45 70.64 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . . . -59.73 -36.71 77.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.04 -86.35 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.79 -33.29 0.39 Allowed Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.579 0.609 . . . . 0.0 113.706 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -61.93 -61.5 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 117.798 0.799 . . . . 0.0 109.433 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -58.72 -40.9 85.08 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -60.38 -41.65 94.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.33 88.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.8 -44.58 86.43 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -55.91 -71.14 0.09 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.12 -21.21 12.22 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -60.19 -59.84 4.77 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.624 ' C ' ' HB3' ' A' ' 73' ' ' ALA . . . -56.26 -81.14 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 174.42 60.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -68.5 174.48 4.11 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.44 178.03 0.17 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.014 -1.469 . . . . 0.0 109.796 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 68.06 60.37 0.42 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.609 ' C ' ' H ' ' A' ' 5' ' ' GLU . . . -73.37 -50.75 20.25 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -68.83 24.09 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.609 ' H ' ' C ' ' A' ' 3' ' ' THR . . . -76.18 -43.22 43.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.42 -41.08 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -72.11 -51.59 20.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.03 -45.52 61.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 123.558 0.537 . . . . 0.0 110.794 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.89 -44.08 97.59 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.46 -28.58 67.12 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.93 -38.5 91.18 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.48 -42.45 92.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.39 -26.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.82 -32.95 57.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -74.03 -27.86 61.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.34 -65.9 0.62 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -63.51 -28.41 69.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.2 -32.74 62.55 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.85 -40.09 26.84 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.4 -53.32 59.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.35 -47.99 74.89 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.819 0.847 . . . . 0.0 113.285 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.73 -61.92 1.99 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.649 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -22.98 53.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.631 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -78.86 -47.64 16.17 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.298 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.45 -32.56 70.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.598 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.3 -54.29 3.83 Favored Glycine 0 C--N 1.336 0.554 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.19 -44.32 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -64.9 -35.01 79.77 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.611 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -78.59 -21.2 48.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.25 -136.78 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 179.18 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -176.19 -92.64 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.456 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 165.17 -35.69 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.61 -47.13 82.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.56 -53.24 60.56 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.013 0.125 . . . . 0.0 110.734 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -52.47 34.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.367 0.417 . . . . 0.0 111.064 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.0 -46.33 61.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.371 0.419 . . . . 0.0 110.135 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -61.03 -35.67 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.56 -43.17 90.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.26 -41.56 60.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.011 0.819 . . . . 0.0 108.922 177.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -56.57 -52.22 65.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.98 -33.45 71.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -56.22 -63.48 1.17 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.45 -41.22 0.94 Allowed 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 125.205 1.565 . . . . 0.0 110.505 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -58.59 -45.75 88.44 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.104 -0.373 . . . . 0.0 110.488 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -69.04 -52.41 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -73.71 67.78 1.19 Allowed 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 100.593 -3.855 . . . . 0.0 100.593 176.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -84.17 139.03 32.68 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 -175.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -80.06 58.59 3.0 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -169.28 -16.89 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -64.79 -106.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 120.664 1.575 . . . . 0.0 111.086 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 70.27 -54.57 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.325 0 O-C-N 123.384 0.427 . . . . 0.0 111.397 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.502 . . -66.16 -82.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 123.769 2.979 . . . . 0.0 111.669 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . 68.67 43.4 1.31 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 152.49 -100.29 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.283 0 O-C-N 125.709 1.88 . . . . 0.0 109.619 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' O ' ' N ' ' A' ' 58' ' ' GLY 2.519 . . 57.23 -163.62 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.872 1.715 . . . . 0.0 107.796 -178.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 72.45 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -142.15 -36.28 0.09 OUTLIER Glycine 0 C--N 1.338 0.651 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -167.08 -70.38 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.434 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -70.96 -174.14 0.9 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 52.57 50.14 18.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.587 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.66 -53.72 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 170.51 -79.64 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 71.87 -103.31 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.49 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.511 . . 65.54 173.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 121.968 1.778 . . . . 0.0 110.092 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.4 -164.59 0.05 OUTLIER Glycine 0 CA--C 1.525 0.676 0 O-C-N 123.613 0.571 . . . . 0.0 113.178 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 50.34 -169.46 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.981 0.513 . . . . 0.0 112.247 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -74.73 126.92 31.9 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.335 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 174.27 167.51 0.23 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 172.36 -159.37 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . 71.67 48.95 0.29 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.611 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . 104.67 -136.29 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.226 0 O-C-N 125.18 1.55 . . . . 0.0 109.11 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . . . -148.25 90.85 1.85 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . -21.42 -80.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -76.14 -10.4 59.38 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . . . -59.17 -77.59 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -101.68 51.34 0.84 Allowed 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 124.05 0.844 . . . . 0.0 110.627 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.4 -41.55 13.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 123.576 0.548 . . . . 0.0 112.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.94 -55.25 31.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.27 -42.55 70.09 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.274 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.65 -51.51 68.43 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.09 -38.37 47.68 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.91 -64.74 0.73 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.29 -35.8 2.48 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 124.075 0.859 . . . . 0.0 111.227 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -69.88 1.11 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 107.293 -2.323 . . . . 0.0 107.293 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.31 -46.01 17.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.724 0.896 . . . . 0.0 110.472 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.11 -53.51 49.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.131 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.94 -45.53 74.87 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.63 -43.21 89.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.391 0.432 . . . . 0.0 110.439 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.16 -46.04 53.81 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 123.808 0.693 . . . . 0.0 109.719 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.39 -32.46 62.72 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.064 178.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.51 -66.23 2.99 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.896 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.24 -38.01 93.42 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.29 87.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 117.112 0.456 . . . . 0.0 110.048 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.31 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.43 -36.29 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.38 -51.98 21.14 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -71.12 -48.35 52.64 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.683 0.278 . . . . 0.0 111.113 -178.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.47 57.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.72 -21.31 18.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . -64.7 -100.87 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.99 -62.96 1.93 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.428 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.38 -151.03 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 117.43 0.615 . . . . 0.0 111.54 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.1 -20.88 1.52 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.165 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -73.62 0.11 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.964 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.34 -37.83 75.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -58.46 -51.58 69.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.05 -41.28 94.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.13 -64.02 1.06 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.58 90.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.252 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.05 -17.69 64.85 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.333 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.93 -32.71 40.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.27 -42.84 92.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.444 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -70.91 -30.22 66.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.71 -54.37 31.78 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.77 -20.55 76.16 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.33 -63.62 1.24 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.77 -42.63 81.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.264 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.67 -61.13 2.64 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.156 0.182 . . . . 0.0 110.98 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.99 66.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.032 0.207 . . . . 0.0 110.515 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -53.18 -44.42 67.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -76.64 -56.53 4.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.109 -179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -54.22 -28.02 38.29 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.266 0.226 . . . . 0.0 110.814 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.25 -49.54 14.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -60.39 -94.54 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 173.98 56.8 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -76.21 173.4 11.4 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 56.62 60.9 2.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.737 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -64.26 -179.13 0.42 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 173.35 42.78 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.245 0.341 . . . . 0.0 110.406 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -158.47 56.58 0.45 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.97 -49.08 40.36 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -58.59 -31.3 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.23 -52.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.92 -43.17 49.61 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.691 0.619 . . . . 0.0 110.803 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.4 -46.6 89.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.31 -30.42 68.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.48 -36.98 84.2 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.99 -41.76 73.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.35 -25.8 66.11 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.81 -42.51 33.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -67.67 -27.44 66.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.39 -67.02 0.48 Allowed 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.83 -28.42 67.46 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.81 -35.98 73.81 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.1 -40.33 83.17 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.72 -53.21 60.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.84 -48.83 63.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.52 -59.98 3.68 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.37 26.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.848 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -77.98 -47.27 18.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.628 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -66.27 -36.61 83.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.87 -49.38 7.77 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.486 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . . . -62.84 -52.62 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.07 84.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.685 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.01 -19.0 48.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.655 0.207 . . . . 0.0 110.558 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.85 -140.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 175.5 106.16 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 173.7 -89.85 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 167.24 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.16 -44.85 90.82 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 27' ' ' VAL . . . -57.71 -53.57 56.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.79 -48.81 40.93 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 123.612 0.57 . . . . 0.0 110.435 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.94 -47.1 68.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -54.75 -40.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -61.78 -41.76 98.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -50.99 -45.92 61.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.835 0.709 . . . . 0.0 110.219 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.5 -54.84 41.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.95 -34.86 72.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.07 -62.31 1.74 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.56 -42.77 1.2 Allowed 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 125.219 1.575 . . . . 0.0 110.827 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.6 -45.21 89.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.807 -0.558 . . . . 0.0 110.343 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -68.65 -42.36 83.2 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 123.006 0.522 . . . . 0.0 111.373 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.31 68.73 3.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 101.476 -3.527 . . . . 0.0 101.476 172.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.54 -135.18 0.05 Allowed 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.85 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.46 -151.24 0.09 Allowed 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 169.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -92.88 139.1 30.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -76.06 57.34 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.11 -32.61 0.03 OUTLIER Pre-proline 0 N--CA 1.453 -0.303 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -62.29 -19.31 66.56 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 122.25 1.967 . . . . 0.0 109.457 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -88.0 -40.96 13.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -158.18 76.89 3.55 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.49 . . -73.25 -19.39 22.51 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.533 2.155 . . . . 0.0 109.505 177.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.31 114.31 0.9 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.79 127.67 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 112.296 -0.322 . . . . 0.0 112.296 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.447 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 166.83 64.57 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.154 0.581 . . . . 0.0 109.628 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -158.72 154.11 25.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.568 ' O ' ' HA ' ' A' ' 71' ' ' LYS . . . 167.48 168.0 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.412 -1.28 . . . . 0.0 107.929 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.431 ' CB ' ' H ' ' A' ' 72' ' ' ALA . . . -153.99 168.41 26.52 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 119.594 1.088 . . . . 0.0 110.646 -178.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -176.68 19.89 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.515 0.509 . . . . 0.0 111.243 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 37.37 -150.77 0.0 OUTLIER Pre-proline 0 C--N 1.34 0.166 0 O-C-N 124.449 1.093 . . . . 0.0 113.117 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 48.79 26.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.32 2.68 . . . . 0.0 111.925 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.75 172.56 35.61 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -55.48 -60.51 3.32 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 63.27 168.79 0.14 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.702 0.401 . . . . 0.0 111.171 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -160.57 -67.05 0.07 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.37 -65.15 0.96 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 61' ' ' SER . . . 58.41 -174.47 0.09 Allowed 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.348 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 73' ' ' ALA . . . -100.59 131.5 46.46 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . 149.73 -80.6 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 54.84 -76.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.432 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.559 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 173.98 -94.62 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 118.027 0.376 . . . . 0.0 110.864 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.926 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . . . -76.89 -59.31 2.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 169.14 -169.18 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.84 -33.35 4.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 124.104 0.877 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -68.47 -60.1 2.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.656 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.926 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . . . -53.61 -45.41 70.07 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.19 -44.83 79.8 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.95 -38.54 85.46 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.769 -1.733 . . . . 0.0 108.769 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -64.62 0.77 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.715 0.258 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -50.91 -38.5 50.33 Favored 'General case' 0 C--N 1.34 0.171 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -63.92 3.88 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 106.83 -2.508 . . . . 0.0 106.83 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -49.67 -40.44 39.87 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.749 -0.725 . . . . 0.0 109.72 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -55.11 -53.49 55.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.156 0.503 . . . . 0.0 111.153 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.547 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.59 -39.43 73.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.29 -41.96 85.54 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.31 -36.97 45.06 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.225 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.768 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -75.8 -36.75 59.63 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.201 177.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.22 -66.49 2.59 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.012 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.04 -35.92 84.89 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.64 -45.78 73.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 117.107 0.454 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.81 -41.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.15 -50.48 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.94 88.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.949 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.94 -41.63 83.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.459 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.82 -46.0 81.92 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.56 -46.53 70.28 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -106.56 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.47 -157.2 27.93 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 66.5 140.68 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.11 -7.63 88.35 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.71 -61.74 1.65 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.44 83.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -70.37 -20.94 62.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.85 -51.42 4.8 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.2 86.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.16 -56.17 21.47 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.165 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.51 -24.97 65.73 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.57 -36.24 44.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -56.41 -45.42 80.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.768 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -69.73 -28.46 65.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.571 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.21 67.25 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.51 -25.8 67.04 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.96 -54.11 17.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.59 -49.04 70.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.65 -55.01 34.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.36 -41.28 60.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.358 0.411 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.54 -52.55 61.7 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -64.25 -43.66 94.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.22 -35.74 65.24 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -72.31 -36.74 68.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -54.24 -61.73 2.11 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 128' ' ' GLU . . . -167.88 -59.58 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 68.39 -55.52 0.52 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -162.45 178.17 8.86 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.946 -1.502 . . . . 0.0 109.813 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -63.13 -59.28 4.99 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 54.39 51.92 13.37 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.185 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.85 97.89 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.22 -53.34 14.74 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.76 -39.26 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.89 -48.32 54.39 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.29 -45.99 62.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 123.674 0.609 . . . . 0.0 110.721 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.81 -42.79 98.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.35 -32.31 69.99 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.37 -38.48 87.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.05 -43.43 82.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.015 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.18 -24.99 65.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.32 -37.37 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.49 -28.5 65.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -68.23 -67.34 0.47 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.49 -32.17 70.02 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.29 -23.05 78.18 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.14 -41.26 22.43 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 108.448 -1.861 . . . . 0.0 108.448 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.02 -49.56 76.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -56.04 -45.47 79.18 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.58 0.752 . . . . 0.0 112.193 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.46 -61.43 2.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -20.81 18.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.504 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.616 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.46 -41.81 23.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.971 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.29 -33.44 61.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.0 -47.21 8.65 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 107.187 -2.365 . . . . 0.0 107.187 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.48 -37.56 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -58.71 -41.71 86.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.12 -73.81 0.23 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.2 62.1 4.05 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.166 0.586 . . . . 0.0 110.394 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -71.28 -175.66 1.29 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 175.22 -62.81 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.79 -48.78 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.58 -48.51 79.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.568 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.52 -54.02 51.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.05 0.14 . . . . 0.0 111.042 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.95 24.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.388 0.43 . . . . 0.0 111.338 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.35 -46.98 69.75 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.029 0.205 . . . . 0.0 110.658 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -62.89 -38.17 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.628 0.251 . . . . 0.0 110.979 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.55 -44.27 82.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -52.98 -46.03 68.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 123.872 0.732 . . . . 0.0 109.91 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.43 71.05 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.65 -39.66 89.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -52.97 -67.19 0.27 Allowed 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.291 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -42.9 -42.54 3.73 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 124.272 0.982 . . . . 0.0 111.816 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -57.0 -40.75 77.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -73.31 -45.74 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -49.96 -61.46 2.13 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.287 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.7 7.87 11.38 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.94 0.496 . . . . 0.0 111.264 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 50' ' ' ASP . . . -52.25 -73.16 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 49' ' ' THR . . . 125.19 77.56 0.0 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 126.225 1.81 . . . . 0.0 107.237 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -53.65 -55.42 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.859 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.18 83.81 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.513 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.509 . . -176.43 9.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 121.317 1.345 . . . . 0.0 111.514 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -151.63 1.99 0.38 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.346 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -106.42 93.43 8.29 Favored Pre-proline 0 C--N 1.342 0.257 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -163.97 -147.31 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.437 1.425 . . . . 0.0 111.038 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.16 102.06 0.27 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.22 10.91 0.08 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 175.26 -77.72 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 117.315 0.558 . . . . 0.0 109.933 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.931 ' H ' ' HB3' ' A' ' 72' ' ' ALA . . . 64.05 72.82 0.45 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.767 ' H ' ' HB2' ' A' ' 73' ' ' ALA . . . -70.5 -51.7 27.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -55.77 -35.76 66.59 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -53.13 -70.35 0.09 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.376 0.423 . . . . 0.0 110.02 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -145.95 176.53 2.16 Favored Pre-proline 0 N--CA 1.454 -0.268 0 O-C-N 123.722 0.639 . . . . 0.0 109.371 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.501 . . -59.5 135.95 68.15 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.826 1.684 . . . . 0.0 110.037 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.49 176.19 47.93 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -73.21 -95.31 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 46.56 -157.34 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.749 0.655 . . . . 0.0 111.598 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -161.06 -43.47 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 172.15 38.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -83.54 -62.07 1.67 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.084 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.931 ' HB3' ' H ' ' A' ' 60' ' ' SER . . . -106.31 -24.64 12.22 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.046 0.938 . . . . 0.0 108.478 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.769 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -53.97 -65.99 0.47 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -3.75 44.15 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.769 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -56.67 149.38 17.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 143.04 61.88 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 -176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 49.56 96.19 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -50.64 -39.3 50.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.491 0.316 . . . . 0.0 110.359 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -58.96 -50.39 74.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -55.59 -37.78 68.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.413 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.15 -50.72 70.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.07 -38.96 48.67 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.04 -66.88 0.32 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 119.093 -0.48 . . . . 0.0 109.794 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -42.34 -36.24 1.21 Allowed 'General case' 0 C--N 1.341 0.209 0 O-C-N 124.248 0.968 . . . . 0.0 111.244 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.82 -72.04 0.62 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 106.953 -2.459 . . . . 0.0 106.953 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.03 -48.34 11.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.368 0.687 . . . . 0.0 111.426 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.16 -50.49 61.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.509 0.324 . . . . 0.0 110.604 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.21 -42.13 76.7 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.65 -42.04 91.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.192 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.73 -47.6 59.23 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.248 0.546 . . . . 0.0 109.601 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -71.06 -35.47 71.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.465 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.61 -67.84 2.0 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.889 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.78 -37.82 92.62 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.14 -35.29 79.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 117.496 0.648 . . . . 0.0 110.348 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.53 -44.07 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -60.99 -37.91 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.95 -50.3 73.04 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.81 71.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . . . -58.58 -52.46 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.32 -53.34 24.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.69 -23.19 16.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.73 16.3 80.26 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -81.69 87.32 6.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.05 -29.68 56.13 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.41 37.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.566 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -75.51 -40.55 56.92 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.757 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -77.96 -25.73 48.36 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.61 -46.76 11.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.11 71.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.36 60.43 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -61.91 -28.32 69.44 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.055 0.389 . . . . 0.0 111.152 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.42 -32.08 64.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.14 -42.64 98.91 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.402 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -72.2 -26.77 62.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.1 -56.05 18.18 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -75.08 -19.37 79.89 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -71.62 -64.75 0.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.16 -48.12 83.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.45 -49.46 72.42 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -55.04 -39.0 68.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.69 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -60.79 -54.82 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.143 0.177 . . . . 0.0 111.214 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.11 -56.41 8.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -49.2 -27.64 3.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.87 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -80.27 -73.11 0.38 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -80.08 33.56 0.28 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 171.98 64.25 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -67.12 -63.73 1.0 Allowed 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.7 58.69 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 117.028 -1.463 . . . . 0.0 109.754 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -74.7 -44.5 49.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -54.96 -52.28 63.54 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.322 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -169.72 76.16 0.09 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.25 -54.78 15.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -59.4 -35.77 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.262 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.22 -51.2 32.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.29 -46.58 46.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 123.787 0.679 . . . . 0.0 111.131 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.67 -44.79 96.06 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.89 -30.14 67.54 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.04 -38.62 91.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.57 -42.51 78.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.233 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.45 -26.1 66.5 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.22 -39.46 48.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.12 -29.75 68.74 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.87 -67.24 0.47 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -59.1 -31.65 69.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -21.94 78.76 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.4 -40.69 18.55 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.536 -1.825 . . . . 0.0 108.536 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.749 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.62 -47.53 84.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.39 -46.87 82.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.433 0.693 . . . . 0.0 112.483 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.73 -64.83 0.77 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 110.786 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.78 -20.21 14.12 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.749 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.24 -43.28 21.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.771 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -72.26 -33.46 67.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.142 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.18 -47.19 11.37 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.061 -2.016 . . . . 0.0 108.061 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.26 -36.76 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -58.9 -43.76 91.09 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.146 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.93 -74.31 0.23 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.38 61.76 6.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 122.909 0.483 . . . . 0.0 110.112 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -73.41 -175.93 2.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.605 0.24 . . . . 0.0 110.484 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . 172.98 -60.16 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 169.26 -49.36 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.553 0.533 . . . . 0.0 109.701 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -64.78 -48.0 76.08 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.718 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.61 31.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 122.036 0.135 . . . . 0.0 111.278 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.98 -53.13 35.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.575 0.35 . . . . 0.0 111.235 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -52.61 -46.93 67.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.044 0.215 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -64.36 -33.17 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.522 0.201 . . . . 0.0 110.781 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.68 -46.57 62.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.48 -43.37 75.51 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.818 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.72 78.04 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.37 -41.1 88.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.63 -64.22 0.89 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.28 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -48.59 -40.47 27.55 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -74.07 -47.55 35.79 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.456 0.571 . . . . 0.0 111.954 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.3 -66.22 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -63.49 -38.54 91.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.979 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -70.62 137.43 49.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.16 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -34.18 62.22 0.0 OUTLIER 'General case' 0 C--N 1.345 0.389 0 CA-C-O 125.466 2.555 . . . . 0.0 113.937 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.979 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -125.02 -28.68 3.42 Favored 'General case' 0 N--CA 1.442 -0.851 1 CA-C-N 106.125 -5.034 . . . . 0.0 104.066 171.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.705 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -90.07 -41.49 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 123.361 0.665 . . . . 0.0 110.177 177.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.37 69.21 0.0 OUTLIER Pre-proline 0 N--CA 1.451 -0.386 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.705 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.522 . . -169.64 25.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.706 2.271 . . . . 0.0 109.707 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -108.81 -51.01 2.94 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -71.51 -170.56 0.15 Allowed Pre-proline 0 N--CA 1.448 -0.537 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . 70.96 142.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.447 2.098 . . . . 0.0 108.039 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 44.12 34.46 0.98 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.745 0.418 . . . . 0.0 111.677 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.16 -145.35 17.8 Favored Glycine 0 C--N 1.34 0.755 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.431 ' CB ' ' CB ' ' A' ' 62' ' ' THR . . . -77.29 -56.41 4.58 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 70.0 100.64 0.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.613 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.736 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . . . 56.34 20.45 4.67 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.551 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.431 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -80.16 136.68 36.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 173.87 -149.36 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.175 0.297 . . . . 0.0 110.263 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -142.06 -72.76 0.02 OUTLIER Pre-proline 0 N--CA 1.453 -0.29 0 O-C-N 124.066 0.854 . . . . 0.0 109.193 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.507 . . 161.57 10.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 121.872 1.715 . . . . 0.0 110.917 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.95 24.88 0.05 OUTLIER Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -76.98 172.8 12.6 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -159.97 151.7 20.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.55 0.214 . . . . 0.0 110.74 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 174.3 -79.32 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 171.63 76.01 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -164.04 -25.77 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 119.485 -0.293 . . . . 0.0 111.264 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . 69.54 126.81 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.291 0.567 . . . . 0.0 112.208 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.06 -25.67 0.36 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.134 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 64.14 -149.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -154.8 29.9 0.42 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.736 ' HB2' ' CB ' ' A' ' 61' ' ' SER . . . 51.85 24.71 2.64 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.713 -178.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -85.3 68.76 10.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.068 0.547 . . . . 0.0 111.218 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.28 -44.14 16.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.736 0.648 . . . . 0.0 112.259 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.44 -63.48 1.06 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.635 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -51.48 -46.74 63.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.63 -45.66 77.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.84 -39.55 77.96 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.5 -65.63 0.53 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.318 -0.373 . . . . 0.0 110.252 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -47.27 -35.75 8.23 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 123.893 0.746 . . . . 0.0 109.984 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.02 -65.52 3.18 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 106.57 -2.612 . . . . 0.0 106.57 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.89 -44.38 39.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.39 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -52.2 -52.74 50.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.533 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.2 -39.85 73.07 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.99 -41.62 83.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.62 -38.54 55.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.793 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -73.58 -36.54 65.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.802 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.36 -66.51 2.75 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 113.863 -1.517 . . . . 0.0 109.832 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.31 -39.31 96.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -54.15 -45.79 72.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 117.252 0.526 . . . . 0.0 110.495 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -64.09 -40.36 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.24 -50.94 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.43 73.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.017 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.24 68.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -55.62 -48.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -51.93 -38.63 57.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.417 0.448 . . . . 0.0 110.272 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.12 -104.08 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.17 -53.56 0.24 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -41.88 129.33 3.48 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.28 -4.94 89.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.19 -44.29 18.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.05 -32.51 63.34 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.104 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -59.78 -62.47 1.85 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.04 -36.94 93.07 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.19 -58.84 4.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.6 74.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.74 -22.17 66.06 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.619 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.68 -34.08 40.59 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.22 -42.39 95.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.793 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.97 -28.64 66.81 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.18 -41.25 87.03 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.09 -23.62 61.06 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -66.54 -54.86 19.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.27 -46.8 79.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.81 -47.21 80.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.23 -41.74 80.1 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.76 -47.15 74.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.406 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -72.88 -58.92 2.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.798 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -51.67 -30.88 23.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.509 0.323 . . . . 0.0 110.83 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 126' ' ' ARG . . . -77.62 -65.62 0.94 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -76.06 38.35 0.17 Allowed 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 124' ' ' ASP . . . -78.23 -172.92 3.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -160.33 169.28 23.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 174.98 -178.41 0.11 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.023 -1.465 . . . . 0.0 109.811 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -178.12 179.81 0.8 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 69.92 74.15 0.22 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -159.78 59.34 0.37 Allowed 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -75.26 -40.93 58.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.96 -42.67 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.465 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.67 -52.92 17.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.58 -45.64 48.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.658 0.599 . . . . 0.0 111.003 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.18 95.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.32 -28.41 66.77 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.71 -38.35 90.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.44 78.0 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.17 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.7 -26.64 68.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -76.03 -40.5 53.32 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.93 -26.07 64.9 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -67.37 -69.07 0.33 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.45 -28.63 68.45 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.42 -21.96 79.08 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.3 -39.77 18.0 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.034 -2.026 . . . . 0.0 108.034 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.53 -48.17 81.74 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -59.23 -43.76 92.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.381 0.673 . . . . 0.0 112.176 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.54 -61.11 2.54 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 39' ' ' GLU . . . -57.75 -21.44 41.29 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.541 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.42 -43.86 20.27 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -69.43 -32.78 71.96 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.595 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.18 -47.42 7.01 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.397 -1.881 . . . . 0.0 108.397 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.27 -39.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.77 97.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.376 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -35.04 79.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.48 -125.33 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -121.64 -103.65 0.39 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . 172.13 98.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -157.26 -105.56 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -67.32 -49.45 64.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.99 62.1 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.11 0.164 . . . . 0.0 111.045 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.11 -49.97 62.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.17 0.294 . . . . 0.0 110.631 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -53.77 -44.16 69.8 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.096 0.248 . . . . 0.0 110.392 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -66.51 -32.14 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.819 -0.173 . . . . 0.0 110.739 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' CB ' ' HB1' ' A' ' 23' ' ' ALA . . . -71.58 -46.53 59.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -54.92 -40.35 69.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.703 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.98 74.15 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.432 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.4 -43.52 92.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.46 -58.39 7.31 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.03 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 1.314 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -51.2 -39.13 55.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -78.46 -50.28 11.94 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -75.66 -63.15 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -54.77 -24.76 24.02 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.045 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.314 ' HB2' ' O ' ' A' ' 44' ' ' GLU . . . -42.38 138.57 1.71 Allowed 'General case' 0 C--N 1.341 0.208 0 C-N-CA 123.692 0.797 . . . . 0.0 112.438 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.34 118.38 0.81 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . 172.97 11.94 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.875 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -62.71 -53.67 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 117.901 0.318 . . . . 0.0 111.095 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' C ' ' H ' ' A' ' 54' ' ' LEU . . . -60.49 -42.49 88.82 Favored Pre-proline 0 N--CA 1.449 -0.52 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.505 . . -64.59 4.66 0.57 Allowed 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 121.986 1.791 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 52' ' ' ALA . . . -52.29 -47.9 65.64 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 119.137 -0.459 . . . . 0.0 110.929 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' ALA . . . 165.23 154.42 0.07 OUTLIER Pre-proline 0 C--N 1.34 0.161 0 O-C-N 123.524 0.515 . . . . 0.0 111.214 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.433 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . -71.56 64.92 2.99 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 N-CA-C 106.371 -2.203 . . . . 0.0 106.371 177.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 56' ' ' PRO . . . 66.3 176.99 0.22 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.225 -177.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.21 -24.54 1.57 Allowed Glycine 0 C--N 1.336 0.549 0 N-CA-C 108.704 -1.758 . . . . 0.0 108.704 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -147.52 42.13 1.07 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 168.48 176.01 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 54.07 21.52 3.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 171.29 179.99 0.06 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 178.26 -159.37 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -155.51 -59.72 0.02 OUTLIER Pre-proline 0 N--CA 1.45 -0.432 0 O-C-N 123.558 0.536 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 178.97 -31.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 121.483 1.455 . . . . 0.0 110.359 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.51 100.87 0.2 Allowed Glycine 0 C--N 1.338 0.643 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -158.64 177.89 10.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 70.9 -77.75 0.05 Allowed 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . 174.29 -55.42 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -177.72 47.79 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -166.54 31.65 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.41 -26.71 61.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.643 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . -54.77 -17.42 3.48 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.543 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -63.08 23.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.204 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.643 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -127.89 82.54 2.09 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.843 0.857 . . . . 0.0 109.512 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 177.88 -46.65 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -100.14 50.48 0.9 Allowed 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 124.144 0.903 . . . . 0.0 109.078 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.41 -34.73 2.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 123.985 0.803 . . . . 0.0 111.804 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.96 -54.08 21.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.645 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.14 -49.72 73.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.94 -48.63 75.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.54 -39.3 59.98 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -66.18 0.43 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 119.17 -0.443 . . . . 0.0 109.997 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.8 -35.25 1.83 Allowed 'General case' 0 C--N 1.34 0.192 0 O-C-N 124.179 0.924 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.89 -68.48 1.63 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.4 -47.08 37.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.958 -0.621 . . . . 0.0 110.959 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.91 -52.37 50.42 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.335 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -56.86 -37.86 71.9 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.7 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 123.667 0.604 . . . . 0.0 110.652 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.17 -43.51 61.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.53 0.681 . . . . 0.0 109.422 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.06 -33.86 63.83 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.587 177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -55.53 -64.81 4.03 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.262 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.66 -36.52 87.92 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -56.48 -38.01 71.14 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.546 0.673 . . . . 0.0 110.161 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -73.51 -41.95 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.472 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -55.74 -50.82 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.57 64.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.627 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.23 -37.27 66.96 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -56.35 -50.94 70.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -73.54 -51.24 17.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.39 -27.29 46.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 76.37 19.01 78.76 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -84.55 85.52 7.41 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.48 -26.36 56.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.76 -31.57 35.83 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.543 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -74.79 -36.51 62.5 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.181 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.72 40.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 122.756 0.423 . . . . 0.0 110.389 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.97 -45.21 12.21 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -65.09 -57.02 9.68 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.469 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -60.42 -26.59 66.82 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.93 -33.13 59.85 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -58.53 -42.37 87.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.68 -26.78 57.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.24 -57.6 14.75 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.93 -17.62 76.71 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.85 -55.66 12.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.22 -45.06 86.25 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.78 -46.76 84.13 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.77 74.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.74 -50.38 72.43 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.06 -61.62 1.84 Allowed 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -50.75 -24.69 3.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 123.49 0.494 . . . . 0.0 110.809 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -74.29 -70.34 0.4 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -68.36 -58.04 4.97 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -69.28 -160.06 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -161.4 62.52 0.27 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 63.88 -179.38 0.16 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.012 -1.471 . . . . 0.0 109.675 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.49 -59.46 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -161.96 -179.9 7.51 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 172.86 -83.33 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.29 -37.12 45.59 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.49 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.5 -47.82 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.771 -0.195 . . . . 0.0 110.707 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' CB ' ' HB1' ' A' ' 70' ' ' ALA . . . -70.38 -50.29 40.36 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.12 -49.11 61.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.504 0.502 . . . . 0.0 111.19 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.15 -32.02 70.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.73 -38.88 92.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.79 -45.52 92.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.064 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.15 -29.15 67.21 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -71.27 -38.49 71.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -64.49 -38.52 91.32 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.62 -64.69 0.85 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.29 -34.93 64.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.57 -72.17 0.63 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.71 -43.4 2.3 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 124.48 1.038 . . . . 0.0 114.142 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -59.25 -53.04 62.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 118.953 1.376 . . . . 0.0 108.078 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.75 -49.28 65.8 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.083 0.553 . . . . 0.0 111.922 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.13 -60.21 3.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.521 0.328 . . . . 0.0 111.218 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -20.78 22.86 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.16 -47.12 15.22 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.711 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.85 -30.18 66.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.243 0.217 . . . . 0.0 111.514 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -50.47 5.45 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -61.54 -46.95 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.75 92.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.143 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -77.65 -21.48 52.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -140.79 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -160.62 65.27 0.31 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -158.21 -157.9 0.67 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.87 -22.07 0.79 Allowed 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.922 0.764 . . . . 0.0 110.073 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.61 -47.14 85.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.99 75.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -50.23 56.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.342 0.401 . . . . 0.0 110.576 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.77 -46.25 67.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -60.25 -35.0 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.86 -44.34 85.71 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.33 -44.95 62.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.124 0.89 . . . . 0.0 109.11 177.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -53.31 -49.37 67.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.22 -34.87 77.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.94 -56.74 16.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -43.42 -45.29 6.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.324 1.015 . . . . 0.0 110.034 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -55.87 -48.55 75.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.556 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -59.91 -45.8 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -78.66 67.26 4.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 101.767 -3.42 . . . . 0.0 101.767 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.53 -133.27 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -172.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -82.02 -145.65 0.06 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 102.795 -3.039 . . . . 0.0 102.795 171.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -81.42 111.18 17.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 174.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -52.35 -41.27 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 122.49 0.316 . . . . 0.0 111.416 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.23 164.65 0.45 Allowed Pre-proline 0 N--CA 1.452 -0.371 0 O-C-N 123.522 0.514 . . . . 0.0 110.602 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . 82.03 19.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.71 2.94 . . . . 0.0 111.799 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -122.04 -15.91 7.66 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.41 1.084 . . . . 0.0 108.99 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -99.73 -151.93 0.01 OUTLIER Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 123.711 0.805 . . . . 0.0 108.856 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.72 ' O ' ' N ' ' A' ' 58' ' ' GLY 2.51 . . 83.49 -138.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.67 2.247 . . . . 0.0 111.375 178.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.68 65.29 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.584 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 56' ' ' PRO . . . -97.83 -143.78 15.61 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -85.08 -61.18 1.83 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.697 ' CB ' ' HB3' ' A' ' 72' ' ' ALA . . . 71.42 116.64 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.798 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 51.71 41.54 29.1 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.792 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 55.8 84.29 0.08 Allowed 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -83.28 17.47 2.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 123.3 0.375 . . . . 0.0 111.157 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -161.6 67.71 2.25 Favored Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.515 . . 75.67 -89.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 121.915 1.743 . . . . 0.0 108.558 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -152.26 64.31 0.37 Allowed Glycine 0 C--N 1.336 0.573 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -59.34 -178.57 0.06 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.676 0.274 . . . . 0.0 110.851 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -81.88 -146.19 0.06 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.895 0.478 . . . . 0.0 110.209 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -76.66 124.87 28.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.398 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 170.58 55.71 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -81.74 109.09 15.82 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.697 ' HB3' ' CB ' ' A' ' 60' ' ' SER . . . -82.08 -42.48 19.13 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' H ' ' CB ' ' A' ' 60' ' ' SER . . . -102.65 97.61 7.78 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -152.65 109.66 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 O-C-N 123.767 0.667 . . . . 0.0 112.155 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 82.98 -150.61 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.17 0.919 . . . . 0.0 111.505 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.768 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . . . -77.45 178.4 7.23 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -51.83 167.58 0.11 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 122.529 0.332 . . . . 0.0 111.814 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.73 -31.03 2.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 124.145 0.903 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.78 -61.99 1.68 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.57 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.768 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . . . -55.54 -42.62 74.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.51 -49.5 72.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.14 -37.89 55.27 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.276 -1.529 . . . . 0.0 109.276 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.82 -66.71 0.35 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 119.097 -0.478 . . . . 0.0 109.994 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -43.47 -34.55 1.36 Allowed 'General case' 0 C--N 1.342 0.252 0 O-C-N 123.932 0.77 . . . . 0.0 110.845 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.81 -70.1 1.06 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 106.723 -2.551 . . . . 0.0 106.723 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.06 -48.66 16.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.387 0.698 . . . . 0.0 111.294 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.02 63.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.911 0.386 . . . . 0.0 110.475 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.24 -46.19 69.06 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.85 -37.75 80.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.95 -49.45 63.15 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.04 -36.32 69.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.932 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.89 -67.84 1.99 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.642 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.85 -37.71 94.64 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.59 -34.06 76.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 117.562 0.681 . . . . 0.0 110.032 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.67 -45.25 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -65.7 -37.31 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.21 -55.91 28.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.5 67.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -63.69 -51.66 64.07 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.39 -39.25 60.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.47 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.3 -104.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 175.25 26.68 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.418 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -96.48 88.12 4.61 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.558 0.743 . . . . 0.0 109.582 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.17 56.74 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.01 37.34 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.698 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -76.56 -35.68 58.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.487 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -78.27 -29.32 47.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.14 -45.89 9.76 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.78 65.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.698 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.2 -50.3 70.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -59.96 -31.16 69.63 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 122.466 0.306 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -72.72 -30.04 63.86 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.27 -46.05 90.53 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -66.78 -25.96 66.73 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.62 36.15 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -69.41 -23.36 76.49 Favored Glycine 0 C--N 1.336 0.547 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -70.05 -56.06 7.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -60.46 -51.38 69.69 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.64 -44.07 76.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -53.0 -47.21 68.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.221 0.325 . . . . 0.0 110.288 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -56.27 -51.81 66.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.64 -40.05 82.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -68.84 -25.38 64.62 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -72.03 -49.67 34.9 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -55.26 -61.38 2.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -167.33 -64.02 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 175.45 -173.04 0.08 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.03 -58.17 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.953 -1.498 . . . . 0.0 109.767 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -164.37 177.71 8.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -68.53 -57.35 5.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -161.68 61.22 0.26 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.43 -40.4 61.98 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.8 -44.59 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.575 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.72 -52.97 15.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.95 -44.41 63.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.497 0.498 . . . . 0.0 110.521 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.82 99.51 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.23 -27.49 67.25 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.25 -38.47 87.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.6 69.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.6 -25.3 66.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -78.01 -40.49 38.81 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -69.98 -23.1 63.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.429 ' CB ' ' CB ' ' A' ' 46' ' ' ILE . . . -70.7 -68.59 0.42 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.29 -31.65 67.68 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.73 72.16 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.05 -40.29 62.27 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 179.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.739 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.72 -48.72 80.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.219 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -53.13 -49.43 66.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.503 0.721 . . . . 0.0 112.529 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.49 -65.03 0.74 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.98 29.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.739 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -79.12 -37.2 39.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.728 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -75.67 -38.97 58.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.407 0.283 . . . . 0.0 111.299 -178.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.98 -46.73 21.5 Favored Glycine 0 C--N 1.335 0.52 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -58.02 -47.57 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.65 68.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.899 179.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.56 -33.05 75.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.18 -95.72 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -153.15 -102.18 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . 173.06 105.67 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.49 -106.38 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -69.09 -43.11 75.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -55.53 23.67 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 32' ' ' ASP . . . -49.97 -49.39 50.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.78 0.432 . . . . 0.0 111.253 -179.679 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -56.09 -44.07 78.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.08 -36.89 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -74.49 -51.08 15.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -53.62 -44.04 69.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.758 0.661 . . . . 0.0 109.501 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.3 91.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -58.07 -47.74 82.26 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.87 -55.34 31.49 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.064 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.851 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -48.74 -44.1 38.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.083 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -72.38 -48.6 40.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -178.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.429 ' CB ' ' CB ' ' A' ' 16' ' ' SER . . . -80.45 -72.76 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.064 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -61.39 -37.51 83.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.044 -176.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.915 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -79.27 -149.91 0.05 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.404 ' H ' ' HB1' ' A' ' 48' ' ' ALA . . . -39.8 51.96 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.507 1.13 . . . . 0.0 113.099 -178.312 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.915 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -139.96 -34.87 0.53 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -94.25 133.66 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.051 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 51' ' ' VAL . . . 162.14 -5.12 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.268 0 C-N-CA 123.565 0.746 . . . . 0.0 109.638 -178.32 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . 2.516 . . -171.74 74.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 122.29 1.993 . . . . 0.0 111.513 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -86.59 -17.4 34.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.398 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -152.99 65.55 5.7 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . 58.49 -109.67 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 122.178 1.918 . . . . 0.0 109.717 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.81 23.18 2.41 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.801 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 87.39 37.84 7.99 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 -178.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 55.43 -60.53 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.801 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 71.24 78.76 0.17 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.084 179.309 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.425 ' CB ' ' CB ' ' A' ' 75' ' ' TRP . . . -65.13 -176.69 0.31 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 174.49 57.99 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 69.37 93.84 0.08 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 173.63 -160.08 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.451 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 71.68 140.56 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 122.542 2.161 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.34 67.16 0.26 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -158.67 -146.85 0.16 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -153.43 134.85 14.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 123.391 0.432 . . . . 0.0 109.878 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . 171.44 84.37 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.64 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 69' ' ' GLU . . . 69.16 177.1 0.27 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -178.333 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -57.07 -25.06 58.08 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.867 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 73' ' ' ALA . . . -9.25 125.54 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 126.059 2.099 . . . . 0.0 113.76 177.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 72' ' ' ALA . . . 154.79 -73.14 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -175.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.48 ' C ' ' H ' ' A' ' 76' ' ' ALA . . . 57.99 -114.65 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.635 178.679 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.425 ' CB ' ' CB ' ' A' ' 61' ' ' SER . . . 75.07 -36.61 0.32 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 74' ' ' ILE . . . -69.68 79.46 0.43 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.142 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 72.41 67.98 0.13 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -49.79 -35.45 22.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.448 0.467 . . . . 0.0 109.92 177.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.31 -53.97 49.92 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.56 -40.1 68.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.9 -48.61 75.34 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.11 62.76 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -63.88 1.01 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.184 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -48.92 -35.08 14.11 Favored 'General case' 0 C--O 1.226 -0.147 0 O-C-N 123.573 0.545 . . . . 0.0 110.693 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.7 -70.2 0.98 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 177.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.27 -44.76 33.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 124.397 0.704 . . . . 0.0 110.756 177.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.0 -51.23 62.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -53.76 -42.87 68.69 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.14 -41.48 96.82 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.271 0.357 . . . . 0.0 110.417 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -49.66 -42.92 46.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.55 0.69 . . . . 0.0 109.147 178.227 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -75.82 -36.25 59.76 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.824 177.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.24 -66.43 2.73 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-N 114.018 -1.447 . . . . 0.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.06 -37.09 87.05 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -58.21 -40.0 80.47 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -68.37 -42.86 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.656 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . . . -57.88 -44.72 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.117 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.58 -53.37 57.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.325 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.56 67.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.754 ' HB2' ' CB ' ' A' ' 40' ' ' ALA . . . -55.13 -54.36 44.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -66.07 -50.35 64.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.66 -23.89 44.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.84 24.59 76.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -91.95 91.9 8.08 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.88 -22.62 66.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.23 29.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -71.11 -34.3 70.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.663 179.194 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.02 -24.73 40.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.719 0.408 . . . . 0.0 110.44 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.55 -47.19 12.78 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 178.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.94 81.08 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -64.29 -57.83 8.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.927 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -56.86 -28.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 122.717 0.407 . . . . 0.0 111.702 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.48 -34.59 65.4 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 117' ' ' THR . . . -56.7 -43.41 80.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.347 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.441 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -75.01 -27.64 60.21 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.741 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.5 -58.33 8.74 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.46 -22.12 77.85 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 113' ' ' LYS . . . -67.33 -55.98 11.63 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -64.52 -46.97 80.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -55.32 -50.66 69.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.27 -43.46 61.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 123.47 0.481 . . . . 0.0 110.135 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -54.43 -50.84 66.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.95 -41.58 98.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -55.96 -31.75 63.25 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -71.87 -43.67 65.06 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -69.38 -145.2 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -159.7 -54.38 0.06 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 64.58 -168.2 0.21 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 69.38 -58.84 0.5 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 116.962 -1.494 . . . . 0.0 109.753 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' VAL . . . -56.24 -56.92 15.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -55.82 -55.78 28.4 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.46 -43.1 75.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.28 -44.35 59.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.57 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -62.66 -38.9 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.424 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -74.01 -51.97 14.24 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.69 -44.05 62.99 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.422 0.451 . . . . 0.0 110.573 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.53 98.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.47 -27.98 66.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.37 -38.78 88.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.28 76.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.84 -22.51 64.29 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.062 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -80.06 -43.15 22.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.116 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.8 -22.78 66.59 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -75.77 -65.36 0.91 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.6 -37.66 70.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.01 56.68 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.97 96.59 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.32 -50.99 71.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -47.27 -52.07 17.16 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.477 0.711 . . . . 0.0 112.682 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -67.04 -61.09 2.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -40.81 66.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 110.2 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.429 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -67.62 -51.94 44.18 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -58.86 -42.38 89.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.99 6.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.94 -55.36 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -63.24 -27.94 69.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -59.54 -77.04 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -37.86 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 O-C-N 125.003 1.439 . . . . 0.0 111.154 178.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -148.8 -62.94 0.24 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 177.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.841 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . 73.6 -176.88 0.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.677 176.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 155.8 -73.86 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -79.43 -37.64 36.57 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.3 -57.31 5.48 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.322 179.131 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.841 ' HB2' ' CB ' ' A' ' 32' ' ' ASP . . . -53.97 -41.71 68.15 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.313 0.245 . . . . 0.0 110.546 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.675 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -59.36 -39.88 84.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -59.11 -35.83 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -67.68 -42.15 82.57 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -53.48 -44.19 68.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.23 0.956 . . . . 0.0 109.703 177.399 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.06 -40.59 70.49 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.043 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -63.08 -46.11 88.96 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -50.79 -62.42 1.62 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.002 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -46.64 -45.36 19.11 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.777 0.673 . . . . 0.0 111.988 178.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.19 -39.62 66.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -74.88 -39.54 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.949 178.414 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -48.64 -48.11 39.83 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.595 0.758 . . . . 0.0 111.853 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.11 -85.16 0.07 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.55 141.49 0.38 Allowed 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 124.733 1.271 . . . . 0.0 111.907 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -134.17 -150.56 0.4 Allowed 'General case' 0 CA--C 1.52 -0.211 0 O-C-N 124.859 1.349 . . . . 0.0 111.627 -177.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -147.4 41.11 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 O-C-N 124.0 0.812 . . . . 0.0 110.472 -178.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.22 -31.01 0.39 Allowed Pre-proline 0 N--CA 1.448 -0.56 0 N-CA-C 105.531 -2.026 . . . . 0.0 105.531 176.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -96.04 -4.08 1.82 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 124.247 3.298 . . . . 0.0 110.369 179.035 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -91.36 -21.67 20.89 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -162.71 169.07 9.55 Favored Pre-proline 0 N--CA 1.449 -0.483 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.511 . . 151.84 -32.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.241 2.627 . . . . 0.0 108.863 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.1 101.0 3.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.61 60.41 2.21 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.432 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -159.71 24.56 0.18 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 173.81 172.08 0.18 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 173.83 -157.6 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.346 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.972 ' O ' ' HB1' ' A' ' 72' ' ' ALA . . . -69.44 -143.98 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.284 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -101.95 62.21 0.89 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.631 0.772 . . . . 0.0 109.781 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 179.89 -146.44 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.512 . . -60.9 174.25 1.85 Allowed 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 121.843 1.696 . . . . 0.0 109.472 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.51 -75.0 0.37 Allowed Glycine 0 C--N 1.339 0.705 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 171.7 -177.27 0.05 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.845 ' O ' ' N ' ' A' ' 70' ' ' ALA . . . 94.94 47.71 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 125.201 1.4 . . . . 0.0 109.563 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 51.19 -59.8 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.682 0.614 . . . . 0.0 109.655 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.845 ' N ' ' O ' ' A' ' 68' ' ' THR . . . 171.87 64.71 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -150.9 59.47 0.92 Allowed 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.972 ' HB1' ' O ' ' A' ' 62' ' ' THR . . . -59.79 120.29 9.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 177.014 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' CB ' ' A' ' 125' ' ' TYR . . . 171.5 -144.13 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.125 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.413 ' H ' ' CB ' ' A' ' 125' ' ' TYR . . . 64.89 178.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.317 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.509 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . 174.05 144.32 0.05 OUTLIER 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 179.567 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 75' ' ' TRP . . . 91.68 142.66 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.193 0.997 . . . . 0.0 108.601 -178.477 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -50.56 161.11 0.35 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -177.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -48.52 -23.26 0.92 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.701 178.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.17 -54.36 30.8 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.653 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -58.53 -42.92 88.85 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.14 -50.55 70.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.03 -37.65 54.33 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.075 -1.61 . . . . 0.0 109.075 178.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.56 -64.28 0.88 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.28 -35.6 5.44 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.565 0.541 . . . . 0.0 112.1 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.78 -68.19 1.82 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 107.879 -2.089 . . . . 0.0 107.879 177.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -47.1 -47.09 23.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.631 -0.785 . . . . 0.0 109.99 177.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.03 -49.44 66.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.21 0.319 . . . . 0.0 110.921 -179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.41 -57.39 9.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.167 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -57.16 -54.85 42.05 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -39.55 -61.12 0.85 Allowed 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.832 1.333 . . . . 0.0 112.838 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -66.71 -22.79 66.06 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 111.963 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.51 -35.61 46.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.4 -35.45 47.64 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -68.23 -36.4 79.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -61.45 -46.73 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.626 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -64.16 -30.64 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -60.37 -53.05 62.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HB3' ' CA ' ' A' ' 107' ' ' PHE . . . -59.7 -33.3 71.42 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -55.68 -50.06 71.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -68.05 -46.42 71.16 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . . . -54.63 -24.81 23.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.454 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.27 -69.63 0.22 Allowed Glycine 0 C--N 1.339 0.734 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -36.14 106.15 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.063 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.16 -0.42 86.0 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 177.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.65 -44.83 18.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.28 -29.83 38.28 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.605 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.61 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . . . -73.48 -35.0 65.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.72 30.09 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.08 -42.45 56.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -67.87 -47.72 68.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.08 -22.77 66.43 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 122.405 0.282 . . . . 0.0 110.641 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -78.81 -28.6 44.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.54 -47.38 79.03 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -66.06 -31.0 71.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.124 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 119' ' ' LYS . . . -73.92 -35.0 55.0 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.285 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.82 -29.16 65.64 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -68.18 -56.17 9.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -66.06 -50.41 64.22 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 115' ' ' GLY . . . -53.56 -63.46 1.14 Allowed 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.484 0.314 . . . . 0.0 111.048 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.77 45.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.45 -51.55 66.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -74.56 -54.51 7.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.578 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -52.83 -49.33 65.92 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.45 0.3 . . . . 0.0 111.496 -178.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -67.42 -39.44 85.47 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.811 ' CB ' ' HB1' ' A' ' 73' ' ' ALA . . . -55.62 -60.15 3.84 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.324 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.497 ' CB ' ' HB2' ' A' ' 73' ' ' ALA . . . -171.86 -69.36 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 55.3 67.93 0.94 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.86 60.21 0.25 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.777 179.924 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -75.48 177.54 6.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 179.31 61.62 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -77.95 -61.04 2.13 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.37 -37.33 44.49 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.388 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.429 ' CB ' ' H ' ' A' ' 55' ' ' PHE . . . -61.79 -45.5 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.736 -179.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.45 -48.25 56.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.57 -48.18 57.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.66 0.6 . . . . 0.0 111.168 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.592 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' CB ' ' CB ' ' A' ' 53' ' ' PRO . . . -59.7 -33.12 71.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.23 -38.33 86.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -63.41 -43.5 97.33 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.101 179.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.95 -27.24 66.63 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.04 -31.08 55.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.3 -39.28 71.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -61.66 -65.5 0.68 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.41 -32.83 67.25 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.22 -77.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 108.489 -1.845 . . . . 0.0 108.489 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.9 -42.76 2.28 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.639 1.114 . . . . 0.0 115.228 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.76 -51.63 68.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.678 1.739 . . . . 0.0 108.287 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -54.32 -49.66 69.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.199 0.6 . . . . 0.0 112.196 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -60.89 -56.21 23.86 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -17.63 36.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.646 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -80.58 -47.03 14.76 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.535 -179.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -73.51 -30.16 62.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.323 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.43 -48.74 6.6 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 108.047 -2.021 . . . . 0.0 108.047 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -63.57 -34.13 65.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -62.06 -42.08 98.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.88 -68.66 0.52 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.03 67.62 10.27 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -47.92 138.53 8.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.693 0.62 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -150.74 -12.56 0.23 Allowed 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 123.734 0.646 . . . . 0.0 110.968 -179.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 77.41 -46.0 0.47 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.968 0.507 . . . . 0.0 110.701 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -65.34 -47.95 74.71 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.471 0.177 . . . . 0.0 110.559 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.06 79.21 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.58 -49.87 66.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -51.35 -45.98 62.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.235 0.334 . . . . 0.0 111.015 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -67.38 -28.54 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -70.12 -45.74 66.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 1.019 ' HB1' ' HB2' ' A' ' 99' ' ' ALA . . . -55.23 -42.13 73.01 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.519 178.364 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.98 -51.46 69.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -61.18 -37.19 82.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.38 -66.69 0.34 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.982 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -45.05 -43.35 9.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.874 0.87 . . . . 0.0 113.067 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -58.14 -38.44 76.56 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -72.67 -41.32 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.151 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -55.37 -45.89 76.51 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.175 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.7 -94.45 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.188 -0.434 . . . . 0.0 110.144 -178.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.07 153.22 0.02 OUTLIER 'General case' 0 C--N 1.34 0.179 0 O-C-N 124.435 1.084 . . . . 0.0 112.676 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -66.1 138.24 57.6 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.913 -176.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -69.53 -53.81 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 43.99 -153.49 0.01 OUTLIER Pre-proline 0 N--CA 1.452 -0.342 0 C-N-CA 123.812 0.845 . . . . 0.0 112.299 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' CB ' ' CB ' ' A' ' 10' ' ' ARG 2.509 . . -173.31 -123.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 122.645 2.23 . . . . 0.0 109.213 179.809 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -85.7 133.41 34.02 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.067 0.547 . . . . 0.0 111.275 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.429 ' H ' ' CB ' ' A' ' 6' ' ' VAL . . . 70.74 172.89 0.1 OUTLIER Pre-proline 0 N--CA 1.453 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.28 179.086 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.517 . . -55.95 -43.14 59.73 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 N-CA-C 106.926 -1.99 . . . . 0.0 106.926 178.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.61 -177.78 4.99 Favored 'General case' 0 N--CA 1.444 -0.737 1 N-CA-C 98.953 -4.462 . . . . 0.0 98.953 177.052 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.54 172.93 5.11 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 121.931 2.15 . . . . 0.0 110.385 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 170.04 -139.34 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -54.43 -42.25 70.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 73.53 -56.21 0.66 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.17 0.294 . . . . 0.0 110.619 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -166.75 107.29 0.64 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -155.2 170.34 22.06 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -60.01 176.02 0.36 Allowed Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.587 0.232 . . . . 0.0 110.575 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.515 . . 176.23 146.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.458 2.105 . . . . 0.0 109.188 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.27 66.61 2.08 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 56.2 -165.75 0.13 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -44.45 165.31 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.023 0.929 . . . . 0.0 112.926 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 77.51 51.63 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.275 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 171.6 -81.85 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' CB ' ' CB ' ' A' ' 126' ' ' ARG . . . 52.19 39.02 26.02 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.412 179.477 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.53 96.15 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 74' ' ' ILE . . . -44.78 -63.53 0.89 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.436 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . 152.69 -154.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.268 0 O-C-N 124.574 1.171 . . . . 0.0 110.557 -176.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . -141.27 -136.33 0.11 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.479 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . . . -58.77 -63.5 1.27 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.82 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -169.97 164.51 9.56 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -45.08 -35.71 3.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 123.961 0.788 . . . . 0.0 111.591 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -66.64 -56.34 11.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.618 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.62 -47.23 73.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.92 -48.03 76.43 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.38 -39.61 65.85 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.58 -66.33 0.41 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 119.311 -0.376 . . . . 0.0 110.118 179.127 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.19 -35.75 3.43 Favored 'General case' 0 C--N 1.339 0.14 0 O-C-N 124.059 0.849 . . . . 0.0 110.74 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.06 -69.39 1.22 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 177.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -48.5 -45.78 37.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.106 0.533 . . . . 0.0 110.981 177.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -52.57 49.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -55.82 -38.61 70.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.12 -42.81 99.2 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 123.685 0.616 . . . . 0.0 110.21 177.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -50.36 -43.0 54.1 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.201 178.413 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.508 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.21 -36.39 63.96 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 114.35 -1.296 . . . . 0.0 109.675 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.11 -64.86 3.79 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 114.002 -1.453 . . . . 0.0 110.062 179.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.11 93.12 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -57.58 -38.96 75.71 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 117.216 0.508 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -69.49 -42.34 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.554 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -56.63 -48.47 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.42 80.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.562 ' HB1' ' CB ' ' A' ' 107' ' ' PHE . . . -60.39 -37.26 80.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 1.019 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -53.15 -50.1 65.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.782 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -55.14 162.44 1.39 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.62 58.28 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 119.687 -0.197 . . . . 0.0 110.916 -178.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 100' ' ' ASN . . . -101.32 -100.19 2.43 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.704 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -154.14 127.78 8.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.59 -15.38 61.69 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.97 -30.27 35.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 178.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.889 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -73.33 -34.41 65.65 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.443 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . . . -80.26 -25.85 39.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.15 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.66 -47.1 8.14 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.43 64.51 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.889 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.65 -54.15 40.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.959 178.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -62.78 -26.48 68.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 122.7 0.4 . . . . 0.0 111.637 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -75.61 -32.29 60.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 178.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.89 -41.14 90.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.508 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.01 -28.43 62.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.46 -52.95 45.44 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -78.64 -19.92 72.45 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.77 -57.15 5.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.98 -48.54 78.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -57.45 -40.91 79.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -54.7 -47.17 74.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.39 -50.61 69.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.41 -35.65 78.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -69.94 -26.66 64.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.85 -60.36 2.4 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.43 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . -75.69 153.21 37.27 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.431 ' CB ' ' CB ' ' A' ' 71' ' ' LYS . . . 54.1 26.74 6.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -55.54 164.61 0.99 Allowed 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 174.89 -177.97 0.1 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.019 -1.467 . . . . 0.0 109.767 179.988 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 177.0 -60.49 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -58.78 -52.52 65.37 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -57.08 -46.01 82.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.78 -50.47 42.84 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.24 -34.52 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' CB ' ' CB ' ' A' ' 68' ' ' THR . . . -73.73 -52.1 14.34 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.11 -42.42 63.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.468 0.48 . . . . 0.0 110.35 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.53 92.91 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.97 -27.53 66.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.54 -37.68 87.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.72 -44.9 65.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.15 -24.07 57.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.97 -38.55 32.0 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.297 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -70.34 -23.92 62.9 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -72.6 -68.05 0.51 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.56 -31.36 66.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.61 64.94 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.53 -40.4 97.61 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.15 -52.6 64.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.11 -50.59 36.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.242 0.617 . . . . 0.0 112.521 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -65.89 -62.49 1.47 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.466 0.306 . . . . 0.0 111.471 -177.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.45 -33.85 46.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 123.619 0.574 . . . . 0.0 109.72 -179.705 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.43 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -73.59 -42.37 61.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.792 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.99 -45.12 64.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.63 -50.98 7.53 Favored Glycine 0 C--N 1.335 0.485 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -177.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.83 -49.21 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.01 71.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -74.15 -28.89 61.53 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.49 -116.41 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -85.94 -169.75 2.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.717 0.407 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -120.04 168.59 11.02 Favored 'General case' 0 C--N 1.339 0.145 0 O-C-N 124.595 1.184 . . . . 0.0 110.353 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . 81.93 -65.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.04 0.837 . . . . 0.0 110.436 179.385 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -58.2 -42.04 85.28 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -56.63 18.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.084 -179.225 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.15 33.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.407 0.442 . . . . 0.0 110.464 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.61 -58.73 6.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -53.54 -44.66 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.105 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.59 -41.23 93.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.968 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -50.0 -48.81 52.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 123.293 0.371 . . . . 0.0 110.74 178.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.85 58.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -67.12 -54.35 22.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -52.18 -52.05 54.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.275 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -47.91 -42.84 28.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.178 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.47 -42.06 70.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.429 0.633 . . . . 0.0 109.422 178.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -56.69 -40.1 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.986 178.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.743 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -80.16 167.12 20.75 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 175.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.31 5.89 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 118.072 2.619 . . . . 0.0 118.072 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.743 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . -67.82 -40.06 83.86 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 176.19 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -134.02 -36.13 0.93 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.259 1.024 . . . . 0.0 110.77 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.822 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -53.87 -39.07 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 39.22 -58.31 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.229 0 O-C-N 124.53 1.144 . . . . 0.0 113.22 178.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.822 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.499 . . -174.14 86.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 121.702 1.601 . . . . 0.0 111.465 -178.926 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -72.88 -26.39 61.42 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CB ' ' CB ' ' A' ' 61' ' ' SER . . . -144.81 -174.34 0.4 Allowed Pre-proline 0 C--N 1.34 0.162 0 O-C-N 123.714 0.634 . . . . 0.0 110.283 179.24 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . . . -50.14 -46.71 27.11 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.207 2.605 . . . . 0.0 111.521 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -69.71 -142.31 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.05 86.03 0.38 Allowed Glycine 0 C--N 1.34 0.775 0 N-CA-C 107.746 -2.142 . . . . 0.0 107.746 179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.431 ' H ' ' CB ' ' A' ' 53' ' ' PRO . . . 87.81 31.11 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.325 1.05 . . . . 0.0 109.18 -179.123 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.638 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 166.22 -173.02 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.427 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -173.83 -165.9 0.27 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.542 0.21 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -154.51 90.44 1.33 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -171.98 -30.83 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.137 -179.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -83.31 82.7 0.03 OUTLIER Pre-proline 0 N--CA 1.45 -0.437 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.509 . . -54.67 -25.52 42.23 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.031 1.821 . . . . 0.0 109.532 179.505 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -145.68 79.88 0.23 Allowed Glycine 0 C--N 1.337 0.623 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 179.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -51.44 -65.68 0.52 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.702 0.401 . . . . 0.0 110.993 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.43 ' CB ' ' CB ' ' A' ' 7' ' ' LEU . . . 173.22 -56.26 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -159.2 39.01 0.21 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 74' ' ' ILE . . . -57.84 -16.34 11.35 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.443 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 71.85 136.23 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' HB2' ' CA ' ' A' ' 126' ' ' ARG . . . 64.33 21.59 12.55 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.667 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.665 ' C ' ' H ' ' A' ' 75' ' ' TRP . . . 52.36 55.75 8.69 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -178.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.474 ' CB ' ' HB1' ' A' ' 70' ' ' ALA . . . -62.37 26.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.499 -177.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.665 ' H ' ' C ' ' A' ' 73' ' ' ALA . . . -101.79 -12.48 18.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.639 0.776 . . . . 0.0 109.905 178.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.3 131.21 56.03 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 123.96 0.904 . . . . 0.0 109.422 -179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 88.84 44.07 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.168 0 O-C-N 124.376 1.047 . . . . 0.0 109.172 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -47.35 -33.45 5.82 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.234 0.959 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.16 -58.68 4.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -53.96 -48.07 70.68 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.49 -47.61 75.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.6 -37.09 74.07 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 178.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.11 -62.25 1.78 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -52.2 -39.27 59.92 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -63.31 4.21 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 107.068 -2.413 . . . . 0.0 107.068 178.191 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.68 -40.75 54.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.568 -0.816 . . . . 0.0 109.422 176.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -53.68 -52.99 58.24 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 123.292 0.37 . . . . 0.0 111.03 -179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -55.48 -40.63 71.91 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.191 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.77 -41.09 85.78 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.04 -38.66 52.86 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.761 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -72.99 -35.57 66.89 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.348 -1.297 . . . . 0.0 109.59 177.315 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.88 -69.32 1.24 Allowed Glycine 0 CA--C 1.527 0.791 0 CA-C-N 113.73 -1.577 . . . . 0.0 110.234 179.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.74 -36.25 93.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -52.96 -50.42 64.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.108 0.454 . . . . 0.0 110.087 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -61.5 -38.2 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.054 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.587 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -53.9 -51.56 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 101' ' ' ALA . . . -56.34 -45.56 80.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.39 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -53.52 -42.12 67.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.968 ' HB2' ' CB ' ' A' ' 40' ' ' ALA . . . -52.93 -53.72 45.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.638 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -76.67 -45.27 30.36 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 97' ' ' ALA . . . -58.0 -42.31 84.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.715 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . 72.03 -159.19 53.67 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 71.03 126.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.422 0.289 . . . . 0.0 110.767 179.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.37 -14.42 81.96 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.11 -54.58 5.63 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.99 67.22 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.13 -67.81 0.41 Allowed 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.87 -38.66 16.8 Favored Glycine 0 C--N 1.338 0.643 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.81 87.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.59 43.2 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.983 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.43 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -60.35 -21.45 62.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.091 0.556 . . . . 0.0 112.436 -178.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.1 -37.25 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -55.42 -42.43 74.14 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.761 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -73.19 -29.78 63.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.374 178.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.29 -46.65 62.91 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.96 -25.78 57.17 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -60.31 -54.57 44.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -73.39 -42.24 62.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.894 -179.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -62.64 -60.44 3.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.057 0.143 . . . . 0.0 110.885 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.82 73.96 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -52.52 -43.22 64.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.335 0.397 . . . . 0.0 110.435 179.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -58.72 -70.67 0.14 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.464 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.57 -26.74 22.75 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.357 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -58.44 -51.36 70.18 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.402 ' C ' ' HB1' ' A' ' 72' ' ' ALA . . . -55.58 -56.42 20.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.449 ' CA ' ' HB2' ' A' ' 72' ' ' ALA . . . -78.5 37.73 0.29 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -63.36 178.99 0.48 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -163.28 179.07 7.65 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 116.956 -1.497 . . . . 0.0 109.748 179.97 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -162.49 51.69 0.19 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -55.75 -40.76 72.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 70.97 160.65 0.22 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.159 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.51 -39.57 37.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.513 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.81 -43.89 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.435 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -69.75 -52.28 26.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.64 -47.27 50.0 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 123.724 0.64 . . . . 0.0 111.246 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.4 -44.07 96.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.465 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -58.95 -30.51 67.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.81 -37.77 88.61 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -67.11 -44.36 80.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.296 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.05 -29.37 67.25 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.12 -45.76 59.28 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -60.2 -34.09 73.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -63.07 -66.56 0.52 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.95 -24.7 76.86 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.35 -39.35 31.26 Favored Glycine 0 C--N 1.337 0.633 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.09 -51.17 71.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.157 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.55 -50.72 59.51 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.243 0.617 . . . . 0.0 112.445 179.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -61.56 -58.34 8.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.807 0.337 . . . . 0.0 110.598 -178.554 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -19.97 18.44 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.723 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.4 -48.04 13.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.996 -179.161 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.23 -31.92 69.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.461 -178.388 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.15 -51.71 4.9 Favored Glycine 0 C--N 1.336 0.561 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.06 -31.25 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.723 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -69.44 -43.36 73.5 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.237 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.13 -26.25 39.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.252 0.221 . . . . 0.0 111.039 -178.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 -118.14 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.832 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . -155.27 -90.47 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.71 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . 43.08 -55.77 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 178.145 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.832 ' N ' ' O ' ' A' ' 31' ' ' PHE . . . 64.99 -46.57 0.35 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 -177.467 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 32' ' ' ASP . . . -66.93 -42.8 84.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 177.303 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' A' ' 32' ' ' ASP . . . -62.23 -43.98 97.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.2 -43.83 71.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.01 -40.06 72.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.594 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -64.03 -34.87 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.799 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -65.4 -42.92 92.09 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.5 -41.21 63.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 124.347 1.03 . . . . 0.0 108.311 177.346 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -54.9 -48.6 72.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.85 -38.58 86.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -52.25 -57.02 10.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -44.43 -42.92 7.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.311 1.007 . . . . 0.0 109.915 175.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -59.27 -48.2 82.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 122.12 -0.362 . . . . 0.0 110.654 178.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -58.41 -47.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.95 69.01 1.86 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 102.468 -3.16 . . . . 0.0 102.468 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.678 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -83.86 125.43 31.97 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 -175.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -65.27 61.35 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 121.405 1.911 . . . . 0.0 107.378 177.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.678 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -165.44 -22.84 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -178.393 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -57.0 119.77 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 119.351 0.978 . . . . 0.0 109.802 -178.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -164.42 -42.67 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.541 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -74.23 -100.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.157 1.905 . . . . 0.0 109.5 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . 62.67 74.59 0.43 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.449 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . 97.58 -46.77 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.22 0 C-N-CA 125.092 1.357 . . . . 0.0 112.24 177.245 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.516 . . -56.46 149.4 57.19 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 N-CA-C 107.662 -1.707 . . . . 0.0 107.662 178.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.59 31.08 16.52 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.29 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.06 -167.48 36.11 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.42 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -49.37 91.25 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.245 0.618 . . . . 0.0 111.405 -179.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.814 ' O ' ' N ' ' A' ' 62' ' ' THR . . . -158.8 165.82 33.37 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.108 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -56.79 47.96 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.814 ' N ' ' O ' ' A' ' 60' ' ' SER . . . -163.23 -11.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.463 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.412 ' H ' ' H ' ' A' ' 62' ' ' THR . . . -55.87 -48.17 76.04 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 -179.681 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -159.22 -81.89 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.452 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 175.34 4.09 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 121.737 1.624 . . . . 0.0 111.23 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -152.13 -25.03 0.05 OUTLIER Glycine 0 C--N 1.339 0.727 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -62.12 -175.52 0.07 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 117.219 0.509 . . . . 0.0 110.362 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 172.5 168.94 0.12 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . 174.01 34.5 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 173.7 -71.18 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 175.96 98.93 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.38 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.89 75.84 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.51 81.29 4.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 124.214 0.946 . . . . 0.0 110.316 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -96.55 -25.21 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.434 ' O ' ' CB ' ' A' ' 76' ' ' ALA . . . 84.38 91.9 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.11 0.964 . . . . 0.0 110.801 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.852 ' HB1' ' CB ' ' A' ' 80' ' ' ASP . . . 137.49 107.83 0.0 OUTLIER 'General case' 0 C--N 1.342 0.249 0 O-C-N 125.612 1.82 . . . . 0.0 106.994 -179.106 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -58.15 -177.93 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.593 0.357 . . . . 0.0 110.967 -179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.21 -47.77 17.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.987 0.515 . . . . 0.0 112.092 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.39 -55.43 27.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.852 ' CB ' ' HB1' ' A' ' 76' ' ' ALA . . . -52.95 -31.62 41.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.215 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -59.23 -58.7 7.5 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.644 178.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.38 -6.84 4.84 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -80.47 -74.1 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 178.26 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -46.74 -37.33 8.34 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 123.989 0.806 . . . . 0.0 110.409 178.396 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.32 -63.5 5.01 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 176.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.3 -48.2 18.24 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.597 0.822 . . . . 0.0 111.0 176.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.61 24.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.403 0.281 . . . . 0.0 111.513 -178.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.44 -44.8 72.81 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -56.11 -42.19 76.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -50.82 -44.53 59.2 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 123.862 0.726 . . . . 0.0 109.117 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -70.8 -36.65 73.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.461 178.286 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.57 -66.93 2.5 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.37 98.75 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.43 -38.8 66.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 117.257 0.528 . . . . 0.0 110.257 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -70.08 -41.82 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -56.47 -52.07 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.55 -58.56 8.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.65 63.06 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.731 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.67 -52.45 65.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -52.14 -40.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 123.363 0.415 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.31 -103.7 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.23 36.36 0.02 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.546 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -102.94 90.37 3.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.808 0.843 . . . . 0.0 109.826 -179.325 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.65 -24.95 57.83 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.6 36.65 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.609 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -74.68 -32.62 62.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.12 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -80.06 -28.04 39.27 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.5 -45.63 10.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.05 72.97 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 106' ' ' ALA . . . -63.33 -53.34 54.26 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.304 178.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.73 -30.45 67.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 122.499 0.32 . . . . 0.0 111.201 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.88 -32.14 63.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.53 -46.43 88.89 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.62 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.1 -26.58 65.89 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.86 15.04 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.43 -25.55 74.75 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 -179.091 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -64.05 -63.05 1.26 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.55 -47.21 84.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -61.57 2.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.849 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.18 -41.82 28.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.626 0.579 . . . . 0.0 111.056 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.58 -50.81 69.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.303 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -69.65 -58.49 3.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.893 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -51.92 -29.32 19.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 123.249 0.343 . . . . 0.0 110.41 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -68.18 -55.48 12.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -76.44 -63.71 1.27 Allowed 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 122' ' ' HIS . . . 174.8 162.2 0.22 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -78.48 -62.13 1.79 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -170.21 58.82 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.975 -1.488 . . . . 0.0 109.801 179.934 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.441 . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 177.35 -61.57 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 75.83 156.57 0.18 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . -78.79 26.22 0.25 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.456 -179.208 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -68.23 -60.22 2.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.575 ' CB ' ' O ' ' A' ' 54' ' ' LEU . . . -59.84 -40.51 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.999 -179.191 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.94 -50.61 32.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -52.27 -48.76 65.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 123.383 0.427 . . . . 0.0 110.991 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.95 -39.19 91.26 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 178.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.71 -29.07 67.86 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 177.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -66.67 -39.94 88.36 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.69 -46.23 89.09 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.937 179.342 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -59.06 -28.9 66.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.44 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.31 -32.52 64.65 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.19 -35.85 78.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -64.86 -65.05 0.72 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.76 -34.21 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.43 -71.26 0.77 Allowed Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 179.043 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.67 -42.87 2.14 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 124.367 0.984 . . . . 0.0 114.421 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -60.0 -53.65 55.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.041 1.421 . . . . 0.0 108.043 178.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -50.4 -51.55 45.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.479 0.712 . . . . 0.0 112.761 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.61 -56.75 13.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.865 0.466 . . . . 0.0 111.697 -178.135 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.71 42.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.434 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.08 -40.89 26.68 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -58.9 -62.1 2.13 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.85 -42.36 85.79 Favored Glycine 0 C--N 1.337 0.604 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.78 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . -56.21 -36.33 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 118.116 0.958 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.02 26.13 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.69 -52.89 9.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 117.777 0.262 . . . . 0.0 111.484 -177.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.29 -119.2 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.78 ' O ' ' O ' ' A' ' 27' ' ' VAL . . . -88.7 -164.07 1.07 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -150.19 74.98 1.22 Allowed 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.902 0.752 . . . . 0.0 109.921 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.58 -88.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.17 -52.04 67.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.405 0.282 . . . . 0.0 111.756 -179.002 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.93 -49.21 74.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 122.05 0.14 . . . . 0.0 110.768 -178.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -52.44 39.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 123.353 0.408 . . . . 0.0 110.555 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.08 -49.56 60.43 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.357 0.411 . . . . 0.0 110.632 179.325 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.89 -34.51 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.608 0.242 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -64.98 -42.77 94.26 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . . . -52.12 -45.66 65.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 123.937 0.773 . . . . 0.0 109.245 177.784 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.48 -54.53 39.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.046 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.89 -32.94 72.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -55.45 -60.34 3.55 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 178.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -40.97 -44.82 2.44 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.727 1.267 . . . . 0.0 110.122 176.534 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -55.06 -46.34 75.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.23 -38.37 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.278 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.44 66.41 5.93 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 174.241 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.88 -135.99 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -172.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.82 -149.58 0.08 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 103.244 -2.873 . . . . 0.0 103.244 171.216 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -84.48 108.49 17.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 175.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -55.53 -37.45 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.855 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.0 70.3 0.0 OUTLIER Pre-proline 0 N--CA 1.447 -0.578 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.425 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.572 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.514 . . -172.81 19.45 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.208 1.939 . . . . 0.0 110.63 -179.906 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.575 ' O ' ' CB ' ' A' ' 6' ' ' VAL . . . -79.19 -20.39 48.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.874 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -138.76 -176.68 0.6 Allowed Pre-proline 0 C--N 1.34 0.191 0 O-C-N 123.83 0.706 . . . . 0.0 109.69 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.505 . . -51.76 -40.4 65.57 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.826 2.351 . . . . 0.0 109.793 -179.795 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.98 31.41 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 178.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.745 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 100.55 19.13 19.0 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 -177.507 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 53.25 -63.77 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.739 0.416 . . . . 0.0 110.159 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . 73.46 145.41 0.08 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.921 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.82 ' O ' ' N ' ' A' ' 63' ' ' ASP . . . -155.22 80.12 1.05 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.37 0.419 . . . . 0.0 109.967 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -55.18 43.92 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.135 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.82 ' N ' ' O ' ' A' ' 61' ' ' SER . . . 71.06 40.14 0.92 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.507 179.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -121.34 -178.92 0.65 Allowed Pre-proline 0 N--CA 1.455 -0.191 0 O-C-N 124.238 0.961 . . . . 0.0 108.675 179.299 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . 63.52 -153.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 121.662 1.575 . . . . 0.0 109.579 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.02 42.74 0.04 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -79.56 179.21 7.61 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -128.68 127.75 42.76 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 124.269 0.98 . . . . 0.0 109.607 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.69 ' CB ' ' HB2' ' A' ' 72' ' ' ALA . . . 174.98 51.14 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 55.15 65.09 1.58 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.875 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 55.7 47.19 21.08 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.69 ' HB2' ' CB ' ' A' ' 69' ' ' GLU . . . -58.32 -34.81 71.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.312 -179.724 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.771 ' HB1' ' CB ' ' A' ' 61' ' ' SER . . . -79.54 -12.17 59.87 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.896 -0.573 . . . . 0.0 110.416 179.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.422 ' CB ' ' CB ' ' A' ' 125' ' ' TYR . . . 6.73 50.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.333 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.517 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -58.57 155.78 11.79 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 178.092 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 165.34 -50.91 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -178.494 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 157.34 102.19 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.67 -39.84 5.42 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 123.776 0.672 . . . . 0.0 111.655 -179.606 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -61.67 -47.96 82.97 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.664 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -59.36 -45.36 91.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.469 179.261 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.35 -52.59 64.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.22 -38.07 32.31 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.284 -1.527 . . . . 0.0 109.284 178.595 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.08 -65.81 0.51 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.97 -35.47 0.37 Allowed 'General case' 0 C--N 1.343 0.302 0 O-C-N 124.696 1.248 . . . . 0.0 110.766 179.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.61 4.25 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 105.837 -2.905 . . . . 0.0 105.837 176.496 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -47.82 -51.9 20.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.407 -0.897 . . . . 0.0 111.111 177.423 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.13 -55.96 19.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.24 -45.59 72.37 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.66 -44.13 90.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 123.36 0.412 . . . . 0.0 110.819 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 94' ' ' ALA . . . -50.62 -48.07 58.09 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.285 0.564 . . . . 0.0 110.311 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 95' ' ' VAL . . . -73.74 -34.18 64.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.048 178.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -58.6 -67.76 2.03 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.641 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.92 82.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -67.91 -34.74 77.19 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.507 0.653 . . . . 0.0 110.146 -179.449 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.711 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -68.15 -41.95 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -68.19 -38.19 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.252 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.33 -51.61 65.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 1.05 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -64.08 -30.57 71.63 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.219 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 96' ' ' ILE . . . -56.47 -48.63 76.7 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.656 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -80.04 -62.6 1.63 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -179.001 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.79 32.71 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.43 -147.34 2.2 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.581 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -127.69 -179.68 5.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.838 0.855 . . . . 0.0 110.112 -179.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.2 -17.79 61.93 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.214 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.95 -30.76 35.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 1.05 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -73.34 -38.95 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.319 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.553 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -78.9 -27.75 43.91 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.691 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -77.73 -50.4 6.52 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.58 -38.02 62.75 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.872 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -63.47 -49.65 72.79 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.752 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -61.58 -29.42 70.02 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 122.469 0.308 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -73.14 -27.93 61.95 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.41 -44.94 93.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 178.082 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -67.93 -27.57 66.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.004 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.08 -50.97 54.84 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 108.59 -1.804 . . . . 0.0 108.59 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -55.53 -66.57 2.74 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.387 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.563 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -48.61 -27.92 3.13 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.003 0.401 . . . . 0.0 111.97 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -75.19 -74.39 0.21 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.445 0.164 . . . . 0.0 111.201 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -37.83 65.59 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.524 -179.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.61 -35.0 70.33 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -59.04 -41.2 87.25 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -67.23 -65.28 0.7 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.28 -17.53 1.83 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.549 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -73.77 -60.54 2.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.422 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -75.02 -51.57 13.26 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.783 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -64.0 -178.92 0.36 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 174.97 68.76 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -161.62 -60.14 0.05 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.021 -1.466 . . . . 0.0 109.778 179.979 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -75.79 -62.56 1.55 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 179.14 77.97 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 70.89 73.38 0.19 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.92 -34.22 44.76 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.121 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -64.46 -47.92 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.584 -179.395 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.03 -51.4 32.49 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -50.17 -44.89 52.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 123.775 0.672 . . . . 0.0 110.89 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.325 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.18 -30.46 68.2 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.95 -38.0 89.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -68.77 -43.65 75.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.309 179.676 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -60.06 -26.18 65.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.16 -40.36 45.77 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.16 -27.97 66.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.24 -67.32 0.46 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.398 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -60.29 -29.79 69.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.37 -25.92 73.19 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -39.89 32.75 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -57.83 -51.08 71.05 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -55.46 -46.05 76.85 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.446 0.698 . . . . 0.0 112.722 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.53 -59.86 4.35 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.939 -178.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 27' ' ' VAL . . . -59.12 -21.37 59.18 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.532 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 1.141 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.3 -42.62 22.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.468 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -76.42 -34.28 58.79 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.518 -178.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -53.84 3.97 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.651 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -66.44 -44.29 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.532 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.141 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -59.52 -39.9 85.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.216 179.459 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.14 -17.4 52.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.275 0.23 . . . . 0.0 110.433 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.45 -139.77 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 177.81 99.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.548 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -177.97 -90.23 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 165.52 -36.6 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.209 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -62.02 -48.09 81.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -178.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.651 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -58.94 -53.64 56.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.772 -0.156 . . . . 0.0 110.944 -178.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.49 -51.97 24.69 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 123.497 0.498 . . . . 0.0 110.99 -179.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.63 -46.27 67.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.183 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -56.44 -38.58 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -62.5 -41.3 98.73 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.92 -46.44 64.63 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 123.933 0.771 . . . . 0.0 109.628 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.99 -52.06 64.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.77 -35.17 74.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -55.03 -59.12 5.19 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.57 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.89 -44.91 1.74 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 124.858 1.348 . . . . 0.0 110.069 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.71 -44.1 73.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -66.01 -44.52 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -76.17 66.06 2.25 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 175.703 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -83.6 -140.13 0.06 Allowed 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -172.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.95 -148.58 0.08 Allowed 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 102.769 -3.048 . . . . 0.0 102.769 170.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -81.08 104.96 11.92 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 174.371 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.542 ' C ' ' N ' ' A' ' 53' ' ' PRO . . . -72.81 -39.36 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 118.099 0.409 . . . . 0.0 112.064 -177.275 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 69.41 -32.54 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -177.771 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.542 ' N ' ' C ' ' A' ' 51' ' ' VAL . . . 67.76 55.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 123.221 2.614 . . . . 0.0 112.615 177.552 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 114.25 163.08 0.0 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.987 1.715 . . . . 0.0 110.27 177.748 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -108.31 -99.99 0.0 OUTLIER Pre-proline 0 N--CA 1.455 -0.192 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.516 . . -173.61 -87.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.295 1.997 . . . . 0.0 109.26 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.34 85.24 0.1 Allowed 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.37 78.56 0.03 OUTLIER Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.111 -1.195 . . . . 0.0 110.111 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 70.23 51.96 0.37 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . -167.1 171.96 10.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 59.74 89.66 0.06 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.402 ' O ' ' HB1' ' A' ' 72' ' ' ALA . . . 69.24 -159.82 0.18 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -153.88 119.89 5.35 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.694 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -55.85 -59.24 12.12 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -168.33 -47.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 121.921 1.748 . . . . 0.0 109.627 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.07 32.09 0.8 Allowed Glycine 0 C--N 1.337 0.614 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -80.89 167.75 19.53 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 71.07 156.04 0.15 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' ALA . . . -56.25 -53.72 53.83 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 175.38 51.84 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -171.29 51.15 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 62' ' ' THR . . . -53.35 -45.53 69.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.466 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.99 123.35 48.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 105.601 -1.999 . . . . 0.0 105.601 177.045 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -100.19 -15.21 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.785 0.834 . . . . 0.0 109.377 -178.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.533 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . 75.54 97.65 0.07 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.167 0.587 . . . . 0.0 110.676 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 162.48 -136.47 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.278 0.986 . . . . 0.0 108.703 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -167.88 164.43 14.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 178.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.26 -41.42 5.9 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 111.916 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.05 -62.4 1.39 Allowed 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.638 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -52.17 -46.33 65.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -178.794 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.82 -50.17 71.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.28 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.11 -38.98 57.08 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 178.565 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.97 -66.25 0.43 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -45.14 -35.64 3.28 Favored 'General case' 0 C--N 1.34 0.185 0 O-C-N 123.872 0.732 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.51 -74.64 0.29 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 107.771 -2.132 . . . . 0.0 107.771 177.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -45.38 -46.1 12.97 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.209 0.594 . . . . 0.0 111.204 178.107 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.84 -46.47 71.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.15 -47.13 72.28 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -61.54 -35.38 77.6 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 119.483 -0.294 . . . . 0.0 110.702 178.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -52.74 -49.16 66.0 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.04 -35.93 64.36 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.193 178.373 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.17 -64.66 3.98 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.454 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.15 -36.06 79.15 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 123.266 0.46 . . . . 0.0 111.989 -178.376 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.32 71.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 117.515 0.657 . . . . 0.0 109.913 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.599 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -72.09 -46.21 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 122.429 0.292 . . . . 0.0 110.911 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -71.66 -36.01 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.55 -57.35 13.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.616 ' HB1' ' CB ' ' A' ' 106' ' ' ALA . . . -73.41 -36.75 66.03 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.035 -179.265 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 95' ' ' VAL . . . -62.47 -54.53 38.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 102' ' ' GLY . . . -66.29 -50.47 63.56 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.06 -179.698 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 7.09 0.14 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.23 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 100' ' ' ASN . . . 85.82 107.13 0.73 Allowed Glycine 0 C--N 1.338 0.666 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.631 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . 168.85 71.01 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.557 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.62 -26.17 59.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.77 -32.9 35.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.631 ' HB3' ' CB ' ' A' ' 103' ' ' ASP . . . -71.19 -31.68 67.93 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.113 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -65.47 -66.57 0.53 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 112' ' ' GLN . . . -53.62 -40.77 63.72 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.913 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.2 -60.04 2.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.599 -0.354 . . . . 0.0 111.57 -177.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.8 67.26 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.897 0.38 . . . . 0.0 110.38 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -64.38 -21.99 66.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.794 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 108' ' ' GLY . . . -75.48 -33.83 60.85 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 178.393 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.33 -42.91 96.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 177.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -67.49 -30.15 69.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.678 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.88 -54.54 27.52 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.188 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -72.04 -20.0 78.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.094 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.18 -62.21 1.68 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.12 -44.97 94.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.51 -59.59 4.48 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.513 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 124' ' ' ASP . . . -47.85 -46.01 30.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 123.617 0.573 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -57.27 -52.93 63.36 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -61.19 -69.12 0.25 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.414 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -49.37 -23.07 1.31 Allowed 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 123.466 0.479 . . . . 0.0 111.03 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 120' ' ' ALA . . . -68.16 -58.58 4.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -75.19 -54.72 6.64 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.448 -0.205 . . . . 0.0 110.448 -179.621 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 74.5 164.67 0.28 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.835 0.454 . . . . 0.0 110.147 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -54.03 -59.7 4.3 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.239 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 58.94 -169.5 0.13 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.764 -179.988 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.47 62.23 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -161.22 -177.59 6.14 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . -160.29 64.77 0.33 Allowed 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -74.75 -42.84 57.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -62.79 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.525 -179.611 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.65 -49.03 51.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -51.36 -49.57 61.22 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.606 0.567 . . . . 0.0 111.141 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -60.79 -38.38 85.14 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 179.227 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.57 -33.2 72.35 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.028 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -62.53 -39.29 93.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.45 -42.14 99.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.914 179.431 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -62.48 -27.56 69.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -73.19 -37.41 66.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -66.49 -38.82 88.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -59.64 -64.39 0.96 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -56.49 -31.75 64.34 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.64 -75.57 0.27 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.307 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.49 -42.14 1.82 Allowed Glycine 0 C--N 1.339 0.727 0 C-N-CA 124.299 0.952 . . . . 0.0 114.663 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -62.22 -54.0 47.17 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.613 1.707 . . . . 0.0 108.935 179.219 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -49.14 -52.31 27.01 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.508 0.723 . . . . 0.0 112.783 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.27 -52.5 61.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.33 66.07 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.112 0.482 . . . . 0.0 110.338 -178.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.429 ' CB ' ' CB ' ' A' ' 111' ' ' LEU . . . -80.17 -35.61 36.21 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.87 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -68.6 -59.08 3.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.2 -39.96 97.57 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.247 -178.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.489 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . . . -65.75 -33.98 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 118.206 1.003 . . . . 0.0 109.097 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.97 63.64 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.664 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -80.6 -17.19 52.11 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.568 0.347 . . . . 0.0 110.48 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.77 -141.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.51 0.324 . . . . 0.0 111.084 -178.205 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.1 85.01 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -170.43 -99.69 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.526 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 168.11 -35.68 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -54.95 -54.61 40.54 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 27' ' ' VAL . . . -53.77 -49.41 68.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.298 0.239 . . . . 0.0 111.127 -178.66 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.04 -54.31 21.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 123.421 0.45 . . . . 0.0 110.776 -179.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.598 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -51.25 -52.23 46.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 123.28 0.362 . . . . 0.0 111.332 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -61.25 -37.22 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.691 0.282 . . . . 0.0 110.853 -179.441 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.85 -44.52 92.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.904 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -50.12 -47.68 53.88 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 123.966 0.791 . . . . 0.0 109.623 177.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.8 63.17 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.692 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.91 -35.95 81.75 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ILE . . . -54.82 -60.5 3.28 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.99 -43.86 1.62 Allowed 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.405 1.066 . . . . 0.0 109.444 175.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -54.66 -44.22 73.08 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . -55.05 -36.58 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.506 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -77.64 81.61 4.08 Favored 'General case' 0 CA--C 1.519 -0.238 1 N-CA-C 98.346 -4.687 . . . . 0.0 98.346 172.175 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.34 178.62 8.27 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -166.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.34 11.9 4.04 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.98 -1.918 . . . . 0.0 110.977 177.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -177.61 -36.86 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 120.36 1.436 . . . . 0.0 109.584 -177.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.623 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . 48.62 -117.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.356 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 65.6 -54.26 0.0 OUTLIER Pre-proline 0 N--CA 1.45 -0.456 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -177.522 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.623 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.5 . . 79.06 56.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.677 2.251 . . . . 0.0 112.466 177.853 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' CB ' ' O ' ' A' ' 53' ' ' PRO . . . 140.6 174.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.276 0 C-N-CA 126.053 1.741 . . . . 0.0 108.02 178.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 172.23 57.0 0.02 OUTLIER Pre-proline 0 N--CA 1.452 -0.333 0 O-C-N 122.958 0.161 . . . . 0.0 110.704 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.483 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 172.79 79.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.237 1.958 . . . . 0.0 109.477 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 56' ' ' PRO . . . 69.36 7.22 6.11 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.68 60.64 3.14 Favored Glycine 0 C--N 1.337 0.625 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 69.0 -176.81 0.21 Allowed 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 68' ' ' THR . . . -78.78 70.02 5.05 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.425 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -154.69 139.59 17.24 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 175.35 49.79 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 -179.668 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . 69.18 83.13 0.16 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.618 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 72.98 146.07 0.11 Allowed Pre-proline 0 N--CA 1.45 -0.441 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.091 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.513 . . 156.37 179.28 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.793 2.329 . . . . 0.0 108.746 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.72 78.85 0.28 Allowed Glycine 0 C--N 1.339 0.718 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.785 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.629 ' O ' ' N ' ' A' ' 69' ' ' GLU . . . -154.96 166.13 34.54 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.431 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . 40.21 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.139 0 O-C-N 124.245 0.966 . . . . 0.0 111.895 -179.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 67' ' ' GLN . . . 172.66 177.63 0.09 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.77 -62.93 1.32 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.731 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . 51.95 24.23 2.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.358 179.321 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 125' ' ' TYR . . . 79.2 38.02 0.13 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 177.219 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 51.26 67.94 0.87 Allowed 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 177.221 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -50.73 -76.58 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 O-C-N 124.008 0.818 . . . . 0.0 109.515 178.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 48.81 -148.01 0.25 Allowed 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.394 0.434 . . . . 0.0 111.921 178.591 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.73 47.05 0.31 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -92.07 44.37 1.17 Allowed 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 177.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.55 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -39.83 -50.71 2.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -176.445 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -80.05 -44.06 20.75 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.96 1.254 . . . . 0.0 112.448 -176.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -64.73 -64.97 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -58.71 -46.34 87.56 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 78' ' ' MET . . . -50.44 -42.15 42.31 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 177.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.84 -64.46 0.82 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.347 178.049 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.58 -36.3 0.38 Allowed 'General case' 0 C--N 1.342 0.273 0 O-C-N 124.858 1.348 . . . . 0.0 110.691 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.69 -73.07 0.51 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 106.561 -2.615 . . . . 0.0 106.561 177.645 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -42.64 -54.24 4.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.578 0.81 . . . . 0.0 112.272 177.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.98 -54.27 31.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.714 0.405 . . . . 0.0 112.032 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -57.2 -39.4 75.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.4 -41.93 86.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.856 178.073 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -56.43 -57.3 12.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.32 0.248 . . . . 0.0 111.382 -179.08 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.569 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -65.88 -30.84 71.51 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.127 0.489 . . . . 0.0 109.695 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.06 -63.67 4.98 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.82 -40.82 97.61 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.77 65.18 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 117.689 0.744 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -71.58 -42.15 71.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.445 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -64.12 -36.61 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.5 45.39 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.771 ' HB1' ' O ' ' A' ' 103' ' ' ASP . . . -74.79 -31.95 61.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.808 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.904 ' CB ' ' HB2' ' A' ' 40' ' ' ALA . . . -65.47 -50.18 66.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -74.21 -61.25 1.92 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.094 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.85 157.35 35.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.413 0.149 . . . . 0.0 110.678 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -50.61 90.22 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.771 ' O ' ' HB1' ' A' ' 98' ' ' ALA . . . 176.12 35.01 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.517 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.95 -22.71 55.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -68.46 0.37 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 -178.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' A' ' 110' ' ' ALA . . . -63.36 -12.7 32.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.513 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . . . -75.61 -35.65 60.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.053 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.12 -43.07 41.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.42 -26.42 63.67 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.563 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -68.22 -51.11 49.13 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.841 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 24' ' ' MET . . . -68.92 -24.17 64.26 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -67.43 -45.42 76.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -62.68 -39.08 92.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.047 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.569 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.395 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.19 32.47 Favored Glycine 0 C--N 1.336 0.541 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.795 -178.318 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.85 -13.01 75.28 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -74.09 -62.32 1.55 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -63.2 -47.7 81.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.641 ' O ' ' CB ' ' A' ' 123' ' ' ASP . . . -52.91 -51.73 60.24 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.175 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.15 -67.67 0.23 Allowed 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 123.599 0.562 . . . . 0.0 110.111 179.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -41.54 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.889 0.743 . . . . 0.0 112.89 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -51.63 -44.0 62.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.021 0.201 . . . . 0.0 111.267 -179.368 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 119' ' ' LYS . . . -46.3 -62.57 1.29 Allowed 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.188 0.595 . . . . 0.0 112.522 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -74.62 -39.76 61.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.633 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . . . -54.21 -54.49 39.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.299 -179.698 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -55.53 -70.89 0.1 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.746 ' O ' ' N ' ' A' ' 129' ' ' ASP . . . 55.14 66.18 1.3 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -55.57 60.62 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.746 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.052 -1.451 . . . . 0.0 109.748 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 175.33 -57.84 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -72.7 -170.82 0.74 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . 71.46 75.86 0.18 Allowed 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -71.87 -45.69 60.46 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.65 -40.64 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -69.72 -48.58 59.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.677 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -53.64 -45.01 70.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 123.397 0.436 . . . . 0.0 110.116 179.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.16 99.36 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.92 -29.35 68.32 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -64.74 -38.69 91.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.62 -46.44 72.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.224 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.09 -27.95 64.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.909 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -74.91 -41.02 60.5 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.48 -28.53 69.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -66.49 -67.7 0.43 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -58.4 -31.05 67.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.67 -25.44 75.07 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.54 -40.26 39.42 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 1.026 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -57.24 -48.55 78.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.616 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -61.31 -39.44 90.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.003 0.521 . . . . 0.0 111.475 178.123 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -68.54 -70.25 0.28 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -22.32 48.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 1.026 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -78.09 -46.3 21.13 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.73 -179.289 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -74.77 -24.95 58.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.334 0.254 . . . . 0.0 111.45 -178.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.38 -49.47 5.83 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.356 -2.298 . . . . 0.0 107.356 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -62.64 -31.16 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -69.86 -41.51 74.76 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.523 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.01 -29.0 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.12 -136.04 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -175.61 79.54 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -156.2 -159.16 0.86 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -141.42 -27.4 0.68 Allowed 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 123.912 0.758 . . . . 0.0 110.029 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -60.69 -46.71 89.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.86 79.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -179.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.89 57.92 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.283 0.365 . . . . 0.0 110.98 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -55.33 -47.84 75.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -55.92 -43.18 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -63.54 -42.15 98.41 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.47 -53.04 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 123.763 0.664 . . . . 0.0 110.468 178.808 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.98 -44.1 63.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.53 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -60.76 -46.53 90.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -53.82 -63.89 1.0 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.95 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.84 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -49.59 -48.47 48.81 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.532 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -67.37 -52.49 39.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.165 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -80.48 -68.51 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -176.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -64.1 -41.3 97.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.07 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 44' ' ' GLU . . . -70.47 -158.22 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.774 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -39.73 60.84 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 124.964 1.415 . . . . 0.0 112.437 -178.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.829 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -154.53 -35.64 0.1 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.646 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -55.24 -58.27 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 122.739 0.415 . . . . 0.0 111.798 -179.826 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.65 54.93 0.0 OUTLIER Pre-proline 0 N--CA 1.449 -0.498 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.656 ' N ' ' O ' ' A' ' 51' ' ' VAL . . . -163.42 16.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 121.78 1.653 . . . . 0.0 110.283 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -68.64 -32.28 72.02 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 121.971 0.108 . . . . 0.0 110.742 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CB ' ' CB ' ' A' ' 59' ' ' THR . . . -171.76 68.5 0.44 Allowed Pre-proline 0 N--CA 1.45 -0.432 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 179.665 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.492 . . 77.92 -131.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 122.492 2.128 . . . . 0.0 113.946 176.578 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.25 10.52 39.31 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 124.517 1.136 . . . . 0.0 112.389 -176.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.2 -63.02 0.01 OUTLIER Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.434 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . 68.82 59.96 0.36 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -178.255 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 169.45 156.03 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -179.076 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 173.18 -49.52 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 -179.182 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . -50.74 121.17 5.5 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 123.326 0.391 . . . . 0.0 111.179 -178.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -79.45 -61.51 1.98 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . -63.72 150.43 90.82 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.698 ' O ' ' N ' ' A' ' 67' ' ' GLN 2.514 . . -69.12 -80.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.041 1.827 . . . . 0.0 110.375 -179.587 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.69 -73.36 0.0 OUTLIER Glycine 0 C--N 1.337 0.628 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.698 ' N ' ' O ' ' A' ' 65' ' ' PRO . . . -96.31 -172.34 2.51 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.452 0.701 . . . . 0.0 109.344 179.461 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 49.4 77.72 0.1 Allowed 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.63 0.582 . . . . 0.0 110.633 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -75.78 72.85 2.71 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.504 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.32 74.55 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.975 -0.102 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 73' ' ' ALA . . . 70.9 77.08 0.18 Allowed 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 122.988 0.18 . . . . 0.0 111.036 178.712 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.645 ' O ' ' N ' ' A' ' 74' ' ' ILE . . . -41.97 -16.07 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.698 ' HB2' ' CB ' ' A' ' 125' ' ' TYR . . . -27.69 -18.9 0.0 OUTLIER 'General case' 0 C--N 1.34 0.185 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.645 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -35.94 152.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.355 0 C-N-CA 124.117 0.967 . . . . 0.0 111.953 178.021 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . . . 80.75 -125.25 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 -175.187 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 59.25 -128.57 1.22 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 119.274 -0.393 . . . . 0.0 110.363 178.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -110.0 85.66 2.15 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.771 0.829 . . . . 0.0 110.255 -178.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.43 -26.9 0.94 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.902 0.751 . . . . 0.0 110.542 178.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -69.31 -52.33 28.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.92 -45.72 82.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.81 -50.24 72.95 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.851 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.53 -39.77 38.11 Favored Glycine 0 C--N 1.338 0.68 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 178.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -54.42 -66.4 0.41 Allowed 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.185 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -39.73 -35.51 0.33 Allowed 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.566 1.166 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.19 -70.4 0.99 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 106.371 -2.691 . . . . 0.0 106.371 176.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.5 -52.89 7.53 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 124.381 0.695 . . . . 0.0 111.82 177.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.64 67.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.401 0.28 . . . . 0.0 110.947 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -52.36 -49.61 64.0 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.3 -34.09 73.29 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 122.37 0.268 . . . . 0.0 111.306 178.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -57.02 -53.38 58.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 118.731 0.696 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -73.65 -34.42 64.95 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.801 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.25 -62.79 5.79 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.054 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.22 -39.13 88.29 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -178.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -69.67 -30.16 67.77 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.548 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . -65.36 -43.87 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.219 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.563 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . . . -63.03 -32.8 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -59.27 -45.24 91.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.321 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 106' ' ' ALA . . . -64.7 -35.62 81.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.435 ' HB1' ' N ' ' A' ' 37' ' ' LYS . . . -58.19 -53.49 57.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -56.32 -50.35 71.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.54 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.39 21.03 73.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.616 ' CB ' ' HB3' ' A' ' 106' ' ' ALA . . . -87.69 89.46 8.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.89 -30.14 65.91 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.6 -29.32 36.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.437 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.803 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . . . -76.69 -33.57 58.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.81 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . . . -66.16 -63.44 1.08 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.2 -31.94 66.63 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.434 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.42 -55.25 5.88 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.547 0.674 . . . . 0.0 110.869 -177.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.503 ' O ' ' HB1' ' A' ' 91' ' ' ALA . . . -62.34 -44.41 96.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.63 -26.15 66.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.585 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -71.43 -34.75 70.56 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -63.34 -44.1 95.84 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.572 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -62.38 -35.16 78.3 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.478 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.42 71.21 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.34 -64.37 4.36 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.482 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -48.67 -53.39 18.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.954 0.377 . . . . 0.0 111.927 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -62.76 -65.93 0.61 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.908 -0.133 . . . . 0.0 111.12 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -52.32 -63.97 0.97 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.54 -54.42 7.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -50.62 -59.38 4.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.399 0.28 . . . . 0.0 111.498 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -57.16 -48.54 78.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.65 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 127' ' ' GLU . . . -58.98 -27.87 65.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.603 -179.489 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -69.47 -53.51 18.84 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.698 ' CB ' ' HB2' ' A' ' 73' ' ' ALA . . . -55.3 -63.56 1.12 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -75.06 -76.85 0.13 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 123' ' ' ASP . . . 63.63 178.4 0.16 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -76.47 -62.22 1.7 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.983 -1.484 . . . . 0.0 109.762 -179.907 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . -64.4 -178.65 0.39 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 53.45 55.7 8.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.419 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -55.42 96.63 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -69.54 -51.76 32.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -60.09 -39.4 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.353 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -70.15 -51.31 32.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -51.48 -46.97 63.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.637 0.586 . . . . 0.0 110.804 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.51 -41.77 97.8 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.16 -29.79 67.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.81 -38.68 89.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -65.73 -47.24 75.99 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.149 179.651 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -58.55 -28.32 65.38 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -72.63 -40.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -62.9 -35.66 80.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -62.8 -65.08 0.74 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -55.62 -39.4 70.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.76 73.63 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.79 23.27 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' MET . . . -58.56 -49.11 78.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.198 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -52.1 -51.45 57.7 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.352 0.661 . . . . 0.0 112.388 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -63.57 -60.92 2.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.283 0.233 . . . . 0.0 111.263 -178.441 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.53 -20.13 18.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 20' ' ' SER . . . -80.34 -45.92 16.97 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.022 -179.609 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -71.0 -34.45 71.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.328 -178.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.68 -49.02 8.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 108.705 -1.758 . . . . 0.0 108.705 -179.523 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -59.9 -35.33 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 24' ' ' MET . . . -61.91 -41.1 97.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.003 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -65.36 -30.84 71.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.63 -143.2 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -155.05 -64.44 0.12 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.992 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -27.0 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -178.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 172.88 -22.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.904 0.127 . . . . 0.0 110.929 -179.308 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -53.83 -52.14 61.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.194 0.198 . . . . 0.0 111.003 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.67 72.66 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB2' ' HA2' ' A' ' 104' ' ' GLY . . . -50.2 -51.54 43.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.32 0.388 . . . . 0.0 110.969 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -53.19 -45.1 68.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.203 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -60.3 -35.65 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.163 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -66.51 -44.69 81.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -51.83 -46.7 64.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.959 0.787 . . . . 0.0 109.555 178.086 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.99 65.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -62.99 -35.72 81.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -54.98 -62.47 1.63 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.773 ' O ' ' N ' ' A' ' 48' ' ' ALA . . . -44.89 -44.02 9.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.063 0.852 . . . . 0.0 111.238 177.76 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -54.73 -46.36 74.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.842 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.53 -41.97 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -71.87 -28.94 63.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.115 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -52.27 -62.05 1.88 Allowed 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.137 0.898 . . . . 0.0 108.61 178.266 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.29 139.11 35.61 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.069 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -125.28 39.04 4.06 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 124.336 1.022 . . . . 0.0 110.272 178.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 63.3 -151.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 101.573 -3.492 . . . . 0.0 101.573 -176.256 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 51' ' ' VAL . . . 62.47 31.17 0.1 OUTLIER Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 121.616 2.007 . . . . 0.0 109.089 177.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -163.66 -25.27 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.704 1.603 . . . . 0.0 110.524 -179.347 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -130.53 -19.44 3.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.781 0.832 . . . . 0.0 110.183 -179.624 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -89.56 -174.38 0.45 Allowed Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 122.739 0.416 . . . . 0.0 109.92 -179.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.423 ' CB ' ' CB ' ' A' ' 62' ' ' THR 2.512 . . 84.45 -138.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 122.808 2.338 . . . . 0.0 111.503 178.878 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.33 98.2 0.23 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.622 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.96 47.64 1.07 Allowed Glycine 0 C--N 1.34 0.767 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 178.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . 171.33 -9.51 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 123.68 0.282 . . . . 0.0 110.918 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . . . 175.24 -169.63 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . -53.45 117.13 2.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.809 -179.206 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.423 ' CB ' ' CB ' ' A' ' 56' ' ' PRO . . . 172.54 -37.96 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -161.36 -175.01 4.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 54.28 -165.96 0.01 OUTLIER Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.266 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.511 . . 172.19 12.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 121.948 1.765 . . . . 0.0 110.617 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -151.64 -23.54 0.05 OUTLIER Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -67.29 -153.64 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 117.121 0.46 . . . . 0.0 110.295 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 74.55 -162.23 0.08 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -150.69 -61.11 0.19 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -70.12 0.15 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 72' ' ' ALA . . . 69.22 145.71 0.05 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.899 ' HB1' ' CB ' ' A' ' 125' ' ' TYR . . . 173.61 -173.86 0.06 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.626 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.75 -4.62 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.074 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.594 ' H ' ' C ' ' A' ' 72' ' ' ALA . . . -108.49 98.98 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.247 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.509 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . 161.29 39.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -178.143 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 75' ' ' TRP . . . 166.47 -31.42 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 -178.131 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . -105.0 46.54 0.91 Allowed 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 124.198 0.936 . . . . 0.0 108.724 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.04 -30.17 1.75 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.222 0.951 . . . . 0.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -67.35 -56.95 7.6 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.643 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -56.35 -49.58 73.97 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -54.4 -54.66 37.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.65 -37.77 42.75 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 178.654 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.85 -66.05 0.46 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.32 -36.33 2.74 Favored 'General case' 0 C--N 1.341 0.223 0 O-C-N 123.878 0.736 . . . . 0.0 111.112 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.16 -72.52 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 107.714 -2.154 . . . . 0.0 107.714 177.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -44.06 -46.66 8.62 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 124.595 0.82 . . . . 0.0 111.064 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.86 -50.55 66.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 110.238 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -50.49 -52.0 42.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.727 179.587 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -60.36 -37.05 79.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.259 0.224 . . . . 0.0 110.845 179.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -51.04 -52.62 41.39 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.007 0.432 . . . . 0.0 110.015 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB3' ' CB ' ' A' ' 114' ' ' LEU . . . -74.43 -34.78 63.31 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.372 179.022 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -54.43 -67.19 2.31 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.208 179.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.69 -36.97 93.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.91 76.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . . . -67.49 -45.01 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 122.738 0.415 . . . . 0.0 110.184 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -65.57 -36.3 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -51.75 65.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -72.96 -58.0 3.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.418 -178.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 107' ' ' PHE . . . -48.04 -54.36 13.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.081 0.552 . . . . 0.0 111.645 -179.211 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.79 -44.88 78.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.07 -11.06 59.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 119.104 -0.474 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 98' ' ' ALA . . . -124.34 -110.74 1.89 Allowed Glycine 0 C--N 1.342 0.866 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . . . 178.64 -159.91 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.204 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.527 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -50.15 -28.91 14.25 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -74.74 0.1 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.23 74.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.469 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . . . -62.6 -51.05 68.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.28 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.3 -38.13 67.46 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.3 -63.24 1.1 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.467 -178.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.28 -46.59 88.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.756 -178.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -66.15 -26.79 67.59 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -74.06 -31.34 62.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -64.61 -46.19 83.69 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.013 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -60.85 -32.4 71.81 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.026 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.31 -89.51 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 178.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . -39.6 -30.07 0.18 Allowed Glycine 0 CA--C 1.526 0.731 0 C-N-CA 123.599 0.618 . . . . 0.0 114.179 -179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -65.43 -59.05 4.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.016 0.908 . . . . 0.0 109.236 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -65.33 -47.3 77.0 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -56.49 -45.3 81.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -54.95 -43.6 73.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.582 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.73 -43.78 76.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -68.77 -37.79 79.59 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -66.35 -23.41 66.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.758 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -76.9 -49.04 16.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.899 ' CB ' ' HB1' ' A' ' 72' ' ' ALA . . . -78.5 -167.24 1.02 Allowed 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.603 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . -69.99 -176.76 1.18 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . -162.9 -172.6 3.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . -162.62 178.4 8.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.962 -1.494 . . . . 0.0 109.799 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . . . 68.11 178.15 0.24 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . 52.27 50.11 19.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 123.266 0.354 . . . . 0.0 110.586 -179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -80.27 -62.11 1.78 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -78.31 -34.98 48.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.223 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -63.97 -43.67 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.661 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -73.8 -50.21 21.63 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -52.36 -44.97 65.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.418 0.449 . . . . 0.0 110.495 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.56 -42.46 98.87 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -60.32 -28.5 68.19 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -65.41 -38.29 89.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.098 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -64.09 -41.83 97.15 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 178.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -64.73 -22.88 67.08 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -79.2 -43.58 23.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -68.96 -26.02 64.84 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.581 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.93 -67.72 0.42 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -57.66 -28.84 64.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.54 67.21 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.744 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.85 -40.27 15.01 Favored Glycine 0 C--N 1.335 0.515 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -177.67 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -58.05 -51.61 68.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.815 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -57.42 -46.88 83.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -62.08 -60.62 3.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.036 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 39' ' ' GLU . . . -55.21 -20.27 10.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.052 178.247 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . . . -79.98 -45.72 17.95 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.846 -179.139 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -72.11 -33.59 67.95 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.284 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.29 -53.21 4.22 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -56.94 -47.38 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.29 77.03 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.652 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 25' ' ' THR . . . -77.8 -21.13 52.07 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 117.59 0.177 . . . . 0.0 110.593 -178.871 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.31 -141.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.35 0.26 . . . . 0.0 110.787 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . -161.83 68.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -160.88 -155.55 0.42 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -143.56 -31.07 0.48 Allowed 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.846 0.716 . . . . 0.0 109.304 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -63.21 -45.66 90.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.73 81.65 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.79 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.47 67.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 123.324 0.39 . . . . 0.0 109.974 179.626 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -52.24 -47.58 65.66 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 123.332 0.395 . . . . 0.0 110.338 179.47 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -62.93 -35.6 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . . . -65.08 -42.67 93.89 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -52.2 -41.31 62.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.054 0.846 . . . . 0.0 108.928 177.591 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -56.64 -51.27 69.37 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -59.85 -34.34 72.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.137 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -56.66 -63.53 1.17 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.83 -40.78 1.03 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.157 0.91 . . . . 0.0 111.203 177.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -69.8 -49.55 51.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 178.773 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -65.68 -55.2 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 C-N-CA 123.369 0.667 . . . . 0.0 109.694 -178.648 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -74.18 81.18 1.79 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 173.791 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.617 ' O ' ' N ' ' A' ' 50' ' ' ASP . . . -84.25 133.28 34.57 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 -175.71 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -68.56 64.01 0.11 Allowed 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 175.541 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.617 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . 171.61 13.49 0.0 OUTLIER 'General case' 0 C--N 1.345 0.408 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -177.12 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' PRO . . . -51.21 -52.31 19.42 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 CA-C-N 121.664 2.029 . . . . 0.0 110.324 178.513 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 10.26 48.92 0.01 OUTLIER Pre-proline 0 C--N 1.345 0.398 0 C-N-CA 126.048 1.739 . . . . 0.0 115.322 178.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' VAL 2.52 . . -172.7 -103.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 122.331 2.021 . . . . 0.0 108.768 -179.869 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . 71.82 59.1 0.16 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.733 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . 100.38 47.95 0.0 OUTLIER Pre-proline 0 N--CA 1.454 -0.241 0 O-C-N 125.14 1.525 . . . . 0.0 111.788 177.725 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.5 . . -73.29 -150.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.725 2.283 . . . . 0.0 106.8 176.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.13 92.1 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 121.206 -0.934 . . . . 0.0 109.531 178.68 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.19 -91.8 0.09 OUTLIER Glycine 0 C--N 1.336 0.581 0 N-CA-C 108.43 -1.868 . . . . 0.0 108.43 179.316 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . . . -89.93 -61.79 1.61 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.288 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.44 ' CB ' ' CB ' ' A' ' 74' ' ' ILE . . . -65.12 -149.83 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.969 178.726 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 70.6 65.13 0.19 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.235 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . . . 54.8 43.06 30.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.337 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -160.69 -168.79 2.21 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . . . 58.21 -148.7 0.01 OUTLIER Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . 2.517 . . 82.43 166.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.668 2.246 . . . . 0.0 109.886 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.12 -170.66 11.11 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . 68.88 -160.78 0.19 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . -47.51 -88.38 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 123.808 0.692 . . . . 0.0 111.611 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 127' ' ' GLU . . . 175.02 -176.0 0.09 Allowed 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 69' ' ' GLU . . . 178.88 39.74 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . 69.46 76.35 0.22 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.366 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' LYS . . . 96.79 -139.35 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 125.095 1.497 . . . . 0.0 109.257 179.557 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 1.123 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . -152.04 85.01 1.27 Allowed 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 178.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.44 ' CB ' ' CB ' ' A' ' 60' ' ' SER . . . -32.05 32.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.245 0 O-C-N 125.118 1.511 . . . . 0.0 112.974 -178.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 1.123 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -147.45 -18.9 0.38 Allowed 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 124.002 0.814 . . . . 0.0 111.08 179.388 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . -43.03 -37.74 2.05 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 174.19 85.02 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 119.708 -0.187 . . . . 0.0 111.115 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -46.88 -40.23 13.62 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 123.59 0.556 . . . . 0.0 111.786 179.255 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -62.02 -55.56 27.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.636 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -54.06 -41.61 68.35 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.312 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -56.75 -50.95 70.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.262 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.49 50.84 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.82 -64.48 0.81 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -44.71 -35.96 2.92 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 124.072 0.857 . . . . 0.0 111.156 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.01 -70.44 0.94 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.381 -2.288 . . . . 0.0 107.381 177.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -46.09 -45.58 16.4 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 124.706 0.886 . . . . 0.0 110.495 177.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -52.81 57.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.121 -179.32 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . . . -54.68 -46.22 74.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -59.17 -43.21 92.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.213 0.321 . . . . 0.0 110.615 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . . . -49.81 -47.09 51.57 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.667 0.604 . . . . 0.0 109.926 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' CB ' ' A' ' 114' ' ' LEU . . . -74.87 -31.41 61.6 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.213 178.136 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.98 -65.01 3.89 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.9 179.021 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.12 92.09 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -178.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . -65.74 -35.88 82.0 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.564 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' A' ' 110' ' ' ALA . . . -65.51 -47.02 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.746 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -58.53 -33.58 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -65.08 -49.08 71.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.452 179.565 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.644 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . -66.1 -41.54 90.48 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.725 -179.34 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.57 70.17 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -55.95 -26.64 48.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.183 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . -67.42 -113.58 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.853 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -78.77 -61.54 2.4 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.746 -0.475 . . . . 0.0 112.551 -178.488 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 172.85 -151.76 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 117.338 0.569 . . . . 0.0 111.356 -178.4 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.83 -18.08 2.56 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.628 -179.533 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.93 -75.42 0.08 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.01 0.405 . . . . 0.0 110.401 179.644 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.622 ' C ' ' HB1' ' A' ' 98' ' ' ALA . . . -61.0 -38.88 87.6 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.493 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 98' ' ' ALA . . . -59.97 -47.48 85.64 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.331 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.26 -35.69 91.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 -178.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.07 -61.2 2.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.37 0.605 . . . . 0.0 109.629 -179.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 95' ' ' VAL . . . -57.97 -41.15 82.31 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . . . -67.75 -17.39 64.53 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.137 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -80.13 -32.02 39.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -61.75 -43.65 98.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 176.149 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.45 ' CB ' ' CB ' ' A' ' 91' ' ' ALA . . . -69.58 -29.27 66.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 177.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.57 -46.5 93.62 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 107.943 -2.063 . . . . 0.0 107.943 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.665 ' O ' ' HB3' ' A' ' 120' ' ' ALA . . . -57.3 -66.51 2.79 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 107.968 -2.053 . . . . 0.0 107.968 178.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.834 ' O ' ' CB ' ' A' ' 121' ' ' CYS . . . -43.85 -65.53 0.49 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 179.541 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -61.77 -72.28 0.13 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -53.38 -66.2 0.43 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -54.04 -35.13 61.64 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.865 -0.112 . . . . 0.0 111.019 -178.243 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.834 ' CB ' ' O ' ' A' ' 117' ' ' THR . . . -56.24 -45.04 80.14 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.012 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . . . -75.9 -55.18 5.86 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -53.61 -24.98 15.6 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.4 0.28 . . . . 0.0 110.672 -179.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -77.9 -57.63 3.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -67.74 -67.64 0.44 Allowed 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . . . 65.04 165.12 0.16 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.721 0.296 . . . . 0.0 110.802 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.425 ' CB ' ' CB ' ' A' ' 69' ' ' GLU . . . -178.68 58.87 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.882 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 64.18 60.41 0.98 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.033 -1.46 . . . . 0.0 109.819 179.963 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.44 . . . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.743 ' O ' ' N ' ' A' ' 4' ' ' LYS . . . 177.3 178.76 0.27 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . -55.57 61.21 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.743 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -160.09 59.51 0.35 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.873 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . . . -73.16 -45.91 53.88 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . . . -61.8 -38.19 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.31 -179.807 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -71.38 -53.18 14.99 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -49.8 -43.26 48.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.634 0.584 . . . . 0.0 110.82 179.613 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -61.73 -46.46 89.55 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.181 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . -59.54 -30.1 68.37 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.121 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.05 -37.16 86.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -69.23 -41.27 77.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.585 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . . . -61.87 -25.22 67.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.441 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . . . -77.77 -46.66 21.01 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.763 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -65.67 -27.08 68.1 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . . . -65.78 -66.77 0.51 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.327 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -61.1 -26.9 67.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.44 -37.23 62.63 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.643 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.84 -39.02 85.88 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.614 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -59.58 -50.92 72.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.352 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . . . -51.9 -44.58 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.742 0.417 . . . . 0.0 111.08 178.534 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.34 -62.1 1.82 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.527 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -22.42 11.41 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.413 179.084 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.85 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -80.17 -44.0 20.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.769 -179.75 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -70.0 -37.02 75.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.386 -178.769 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.2 -53.0 4.61 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.111 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -62.85 -48.36 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.85 ' CB ' ' O ' ' A' ' 24' ' ' MET . . . -55.84 -39.51 71.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.631 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -72.93 -19.2 61.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.871 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -66.51 -146.86 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.349 0.26 . . . . 0.0 110.745 179.433 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . . . 169.03 79.22 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.349 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -179.55 -33.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.635 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 170.11 -24.42 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.288 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -46.67 -50.94 16.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.703 0.627 . . . . 0.0 112.279 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -68.76 0.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.445 0.298 . . . . 0.0 111.785 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -65.79 0.5 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 123.178 0.299 . . . . 0.0 111.459 -178.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . . . -49.91 -70.95 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.374 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . . . -48.49 -49.95 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -60.09 -46.79 88.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 121.89 -0.506 . . . . 0.0 109.657 -179.12 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.41 -52.79 12.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 123.766 0.666 . . . . 0.0 110.978 179.661 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.95 71.19 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -50.8 -56.72 10.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.329 178.455 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' CB ' ' CB ' ' A' ' 95' ' ' VAL . . . -43.83 -57.4 3.28 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.638 1.211 . . . . 0.0 108.68 178.35 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -39.69 -57.12 1.58 Allowed 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.581 1.176 . . . . 0.0 111.47 176.72 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . -54.15 -47.28 72.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.359 0.527 . . . . 0.0 111.171 178.436 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -57.45 -34.6 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.252 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . . . -80.55 60.56 3.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 103.473 -2.788 . . . . 0.0 103.473 173.207 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . -84.69 -143.86 0.09 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -176.514 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . . . -81.34 -161.26 0.4 Allowed 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 168.359 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . . . -94.38 142.7 27.12 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.638 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . . . -78.82 55.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.342 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.409 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -130.67 -30.64 0.03 OUTLIER Pre-proline 0 N--CA 1.453 -0.3 0 O-C-N 124.774 1.296 . . . . 0.0 107.691 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . . . -69.62 -17.49 38.19 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.306 2.004 . . . . 0.0 109.983 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . . . -93.73 -50.0 5.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.325 0.65 . . . . 0.0 109.723 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 52' ' ' ALA . . . -113.73 -174.3 0.27 Allowed Pre-proline 0 C--N 1.343 0.318 0 O-C-N 124.222 0.951 . . . . 0.0 112.234 -178.138 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 2.512 . . 154.54 -43.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.515 2.81 . . . . 0.0 108.83 -179.789 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.82 117.91 1.78 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.433 179.507 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.815 ' O ' ' N ' ' A' ' 60' ' ' SER . . . 88.31 -6.31 83.71 Favored Glycine 0 C--N 1.338 0.692 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 178.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.438 ' CB ' ' CB ' ' A' ' 55' ' ' PHE . . . -54.87 43.47 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 117.332 0.566 . . . . 0.0 110.695 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 58' ' ' GLY . . . -162.13 171.59 17.19 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . . . 173.89 93.13 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.161 0.288 . . . . 0.0 110.44 -179.648 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.972 ' CB ' ' HB3' ' A' ' 72' ' ' ALA . . . -77.71 138.54 39.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.741 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . . . -176.17 -46.92 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 66' ' ' GLY . . . 71.1 30.9 0.04 OUTLIER Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . . . -80.15 24.93 0.62 Allowed 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.263 1.975 . . . . 0.0 109.563 179.652 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 64' ' ' LEU . . . 164.83 -152.93 22.84 Favored Glycine 0 C--N 1.335 0.522 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -179.887 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . . . -53.19 -65.61 0.53 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 122.413 0.285 . . . . 0.0 110.73 -179.444 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . . . 62.84 174.84 0.15 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 122.51 0.324 . . . . 0.0 110.649 -179.702 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -162.46 -74.69 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.23 -65.51 0.91 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.72 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . 53.95 -163.65 0.11 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.808 179.139 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.972 ' HB3' ' CB ' ' A' ' 62' ' ' THR . . . -100.84 132.83 46.05 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 179.7 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 75' ' ' TRP . . . 151.74 -83.18 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -178.451 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . 53.62 -75.88 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.847 179.57 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.563 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 174.14 -96.69 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 118.184 0.447 . . . . 0.0 111.034 179.84 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.882 ' HB3' ' CB ' ' A' ' 80' ' ' ASP . . . -89.61 15.16 9.97 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 123.923 0.764 . . . . 0.0 111.379 -178.257 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . . . 85.05 -156.55 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.406 0.683 . . . . 0.0 111.385 178.304 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . . . -44.29 -43.01 7.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 124.04 0.837 . . . . 0.0 113.093 -178.505 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -65.11 -61.77 1.95 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.577 0.171 . . . . 0.0 111.235 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.882 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . . . -52.53 -46.44 66.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.421 0.451 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . . . -55.04 -46.49 75.31 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.64 -38.77 83.64 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 178.285 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . -53.55 -65.61 0.53 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.79 0.295 . . . . 0.0 110.611 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . -50.18 -38.34 39.26 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 123.609 0.568 . . . . 0.0 109.57 179.722 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.25 -62.6 4.94 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 106.507 -2.637 . . . . 0.0 106.507 177.384 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -50.48 -41.52 53.3 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.705 -0.747 . . . . 0.0 109.812 176.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 84' ' ' LYS . . . -54.48 -53.74 50.21 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.046 0.451 . . . . 0.0 111.311 -179.203 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.562 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . -56.5 -38.91 72.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . . . -58.73 -41.67 86.98 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 94' ' ' ALA . . . -51.51 -37.32 48.66 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.233 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.745 ' HB1' ' CB ' ' A' ' 114' ' ' LEU . . . -74.92 -35.75 62.19 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.975 177.26 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.15 -67.86 1.84 Allowed Glycine 0 CA--C 1.523 0.589 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.775 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.76 90.94 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 90' ' ' GLU . . . -53.93 -47.06 71.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 117.451 0.626 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.429 ' CB ' ' CB ' ' A' ' 43' ' ' LEU . . . -66.73 -38.92 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.609 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . . . -54.41 -51.75 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.6 -62.32 1.97 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.516 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.71 -54.01 39.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 122.342 0.257 . . . . 0.0 110.975 -178.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.91 -51.7 28.63 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.834 0.709 . . . . 0.0 110.078 179.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . -53.79 -44.07 69.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.361 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.15 -101.29 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.339 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.71 -160.95 33.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.337 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . 74.1 130.79 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.206 0.526 . . . . 0.0 112.003 178.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.39 -4.66 80.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.67 -49.49 13.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.94 ' O ' ' CB ' ' A' ' 110' ' ' ALA . . . -67.85 -39.77 83.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.631 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.727 ' O ' ' CB ' ' A' ' 111' ' ' LEU . . . -75.58 -23.84 56.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -80.78 -57.79 2.8 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.6 -43.79 79.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -179.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.94 ' CB ' ' O ' ' A' ' 106' ' ' ALA . . . -61.93 -52.13 65.32 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.634 179.024 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.727 ' CB ' ' O ' ' A' ' 107' ' ' PHE . . . -62.9 -24.34 67.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.776 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . . . -79.49 -35.56 40.01 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . . . -58.41 -45.43 88.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.745 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . . . -67.65 -30.67 70.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.54 -38.64 61.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.407 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.82 61.62 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . . . -69.18 -53.48 19.81 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . . . -67.01 -49.38 65.49 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -54.43 -58.76 6.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.06 56.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 123.282 0.364 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . . . -55.64 -51.63 66.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.587 ' O ' ' N ' ' A' ' 126' ' ' ARG . . . -71.31 -51.32 25.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.662 -179.427 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . . . -52.6 -37.72 58.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 123.188 0.305 . . . . 0.0 110.394 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -75.67 -50.43 15.43 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.851 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . . . -70.2 -64.31 0.92 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' A' ' 122' ' ' HIS . . . -55.91 -71.71 0.08 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . . . 64.0 178.9 0.17 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . . . 175.43 -63.32 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.746 179.962 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_