data_2klv_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 2klv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.278 0.561 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -60.4 2.32 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 117.813 -1.555 . . . . 0.0 112.127 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.52 -35.51 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.426 -1.421 . . . . 0.0 111.805 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.96 91.45 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.991 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.6 83.1 Favored Glycine 0 N--CA 1.484 1.886 0 O-C-N 121.157 -1.201 . . . . 0.0 112.94 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.57 -35.82 73.28 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.502 -1.587 . . . . 0.0 111.885 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.84 -42.53 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.05 -39.37 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 120.925 -1.11 . . . . 0.0 110.673 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.79 -39.3 91.21 Favored Glycine 0 N--CA 1.487 2.055 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.384 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.6 76.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.627 -1.514 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.84 -36.39 83.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.912 -1.117 . . . . 0.0 111.597 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.39 -36.73 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.971 -1.08 . . . . 0.0 113.358 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.28 -37.52 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.632 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.59 -35.42 77.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.817 -1.177 . . . . 0.0 111.865 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.537 -1.352 . . . . 0.0 109.81 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.54 -37.12 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.476 -0.765 . . . . 0.0 111.072 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -34.52 74.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.633 -1.292 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.86 -31.14 31.02 Favored Glycine 0 N--CA 1.489 2.188 0 O-C-N 121.013 -1.054 . . . . 0.0 111.23 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.14 -35.14 61.9 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.598 -1.531 . . . . 0.0 110.177 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.01 -42.64 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 120.8 -1.188 . . . . 0.0 109.212 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.15 -31.53 70.18 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.548 -1.345 . . . . 0.0 110.166 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.1 -21.47 22.43 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.508 -0.745 . . . . 0.0 112.033 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.48 -34.85 69.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.416 -1.428 . . . . 0.0 108.334 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.05 -32.0 70.5 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.335 0.588 . . . . 0.0 110.657 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.255 -0.903 . . . . 0.0 111.823 175.566 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.591 0.71 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.92 -58.88 3.52 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.237 -1.385 . . . . 0.0 111.722 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.13 -35.82 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.252 -1.53 . . . . 0.0 111.065 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.14 -35.9 89.03 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.466 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.68 85.2 Favored Glycine 0 N--CA 1.484 1.9 0 O-C-N 121.179 -1.189 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.16 -39.64 82.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.516 -1.579 . . . . 0.0 110.863 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.65 -42.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -70.93 -35.36 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.73 -1.231 . . . . 0.0 109.979 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.19 92.31 Favored Glycine 0 N--CA 1.484 1.853 0 C-N-CA 120.021 -1.085 . . . . 0.0 111.066 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.07 77.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.62 -1.518 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.45 -38.69 84.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.915 -1.115 . . . . 0.0 111.129 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.44 -37.16 79.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.246 -0.909 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.42 -45.06 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 118.525 -1.27 . . . . 0.0 109.703 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.48 -37.36 78.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.469 -0.769 . . . . 0.0 111.484 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.52 76.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.418 -1.426 . . . . 0.0 109.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.51 -36.88 67.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.502 -0.749 . . . . 0.0 111.007 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.09 75.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.538 -1.351 . . . . 0.0 110.604 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -31.62 37.7 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 121.017 -1.052 . . . . 0.0 111.548 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.29 63.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.39 -1.653 . . . . 0.0 110.128 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.6 -42.84 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 120.72 -1.238 . . . . 0.0 109.613 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.63 -31.48 69.54 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.518 -1.364 . . . . 0.0 109.725 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.75 -21.38 27.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.434 -0.791 . . . . 0.0 112.515 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -34.52 70.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.141 -1.6 . . . . 0.0 107.495 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.47 -34.47 70.91 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.156 0 O-C-N 120.647 -1.283 . . . . 0.0 112.158 176.062 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 121.256 0.551 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -60.88 2.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.37 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.83 -36.27 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.638 -1.289 . . . . 0.0 112.593 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -36.94 92.73 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.615 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.83 78.56 Favored Glycine 0 N--CA 1.482 1.72 0 O-C-N 121.342 -1.093 . . . . 0.0 112.727 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.35 -35.6 73.67 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.36 -1.67 . . . . 0.0 111.689 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.43 -43.51 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.07 -39.87 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.953 -1.092 . . . . 0.0 110.433 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.35 88.88 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.658 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.84 76.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.553 -1.557 . . . . 0.0 111.731 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -39.05 90.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.575 -1.328 . . . . 0.0 111.465 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.37 -37.81 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.2 -40.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 117.646 -1.622 . . . . 0.0 109.555 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.55 -37.02 77.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.114 -0.991 . . . . 0.0 111.556 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.22 78.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.833 -1.167 . . . . 0.0 109.811 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.28 -37.08 67.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.565 -0.71 . . . . 0.0 110.279 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.63 74.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.603 -1.31 . . . . 0.0 109.78 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.55 33.57 Favored Glycine 0 N--CA 1.493 2.488 0 O-C-N 120.836 -1.165 . . . . 0.0 110.866 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.32 -33.53 63.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.643 -1.504 . . . . 0.0 110.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.65 -43.11 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.641 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.18 69.07 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.256 -1.528 . . . . 0.0 110.486 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.17 -21.44 22.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.289 -0.882 . . . . 0.0 112.445 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.45 -35.23 71.82 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.092 -1.63 . . . . 0.0 108.775 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.51 -33.32 71.21 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 121.563 0.697 . . . . 0.0 109.297 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.801 0 O-C-N 120.966 -1.084 . . . . 0.0 111.841 175.327 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.168 0.509 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -60.23 2.42 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.243 -1.783 . . . . 0.0 111.912 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.78 -36.14 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.609 -1.307 . . . . 0.0 112.397 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.57 -37.62 93.66 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.391 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.83 -33.75 79.61 Favored Glycine 0 N--CA 1.482 1.746 0 O-C-N 121.284 -1.127 . . . . 0.0 112.835 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.08 -39.38 82.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.454 -1.615 . . . . 0.0 111.212 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.47 -43.39 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.08 -39.78 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.672 -1.267 . . . . 0.0 110.424 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.8 -39.37 87.35 Favored Glycine 0 N--CA 1.485 1.919 0 C-N-CA 120.115 -1.04 . . . . 0.0 110.591 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.69 76.37 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 120.684 -1.48 . . . . 0.0 111.721 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.95 -39.17 91.19 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.634 -1.291 . . . . 0.0 111.353 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.99 -37.5 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -67.68 -39.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.591 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.18 -35.26 76.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.237 -0.915 . . . . 0.0 111.788 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.61 80.57 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.697 -1.252 . . . . 0.0 109.747 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.92 -37.06 70.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.634 -0.666 . . . . 0.0 110.572 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.28 74.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 109.561 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.03 -31.51 33.02 Favored Glycine 0 N--CA 1.495 2.567 0 O-C-N 121.035 -1.041 . . . . 0.0 110.66 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.77 -34.38 58.87 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.931 -1.335 . . . . 0.0 109.387 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.03 -43.48 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.845 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.5 -31.38 69.31 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.42 -1.425 . . . . 0.0 110.613 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.34 -21.02 21.77 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -0.874 . . . . 0.0 112.912 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -35.11 71.05 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.018 -1.676 . . . . 0.0 108.745 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.27 -33.22 70.79 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 O-C-N 120.873 -1.142 . . . . 0.0 112.147 175.551 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.68 2.13 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 117.501 -1.68 . . . . 0.0 112.835 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.73 -35.19 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.485 -1.384 . . . . 0.0 112.553 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.32 93.0 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.946 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.94 83.62 Favored Glycine 0 N--CA 1.481 1.67 0 O-C-N 121.117 -1.225 . . . . 0.0 112.696 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.28 -39.91 82.0 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.569 -1.547 . . . . 0.0 111.54 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.98 -42.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.6 -40.06 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 120.782 -1.199 . . . . 0.0 110.081 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.71 -39.5 91.33 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.349 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.88 -33.88 76.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.537 -1.566 . . . . 0.0 111.987 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.38 -38.64 87.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.89 -1.131 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.31 -37.27 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.46 -38.42 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.07 -36.91 78.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.819 -1.176 . . . . 0.0 111.195 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.2 -35.21 78.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.472 -1.393 . . . . 0.0 109.86 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.4 -37.26 68.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.513 -0.742 . . . . 0.0 110.584 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.94 -34.76 75.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.61 -1.306 . . . . 0.0 110.219 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.71 33.85 Favored Glycine 0 N--CA 1.492 2.396 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.58 -34.66 62.3 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.703 -1.469 . . . . 0.0 110.046 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.19 -43.39 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 109.375 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.93 -31.16 69.58 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.583 -1.323 . . . . 0.0 110.161 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -21.25 20.91 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.412 -0.805 . . . . 0.0 112.219 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.86 -34.67 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.438 -1.413 . . . . 0.0 108.071 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.64 -32.41 71.57 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.089 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.132 -0.98 . . . . 0.0 111.613 176.04 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.457 0.646 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -59.98 2.59 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 118.096 -1.441 . . . . 0.0 112.275 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.25 -35.44 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.298 -1.501 . . . . 0.0 111.877 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.15 90.75 Favored Glycine 0 N--CA 1.488 2.137 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.885 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.9 86.12 Favored Glycine 0 N--CA 1.484 1.89 0 O-C-N 121.132 -1.216 . . . . 0.0 112.919 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -39.53 81.26 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.473 -1.604 . . . . 0.0 111.248 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.7 -42.36 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.97 -39.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.84 -1.163 . . . . 0.0 110.212 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.2 90.44 Favored Glycine 0 N--CA 1.486 1.987 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.387 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.42 -33.72 76.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.339 -1.683 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.88 -39.27 88.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.079 . . . . 0.0 112.495 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.79 -32.63 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 112.179 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.43 -45.33 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.458 -1.401 . . . . 0.0 109.283 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.45 -35.11 76.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.697 -0.627 . . . . 0.0 111.954 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.88 77.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.521 -1.362 . . . . 0.0 109.443 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.98 -36.94 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.978 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -34.9 75.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.624 -1.297 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -31.17 33.73 Favored Glycine 0 N--CA 1.49 2.289 0 O-C-N 121.143 -0.973 . . . . 0.0 111.334 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.28 63.93 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.548 -1.56 . . . . 0.0 110.055 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.32 -42.31 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 120.79 -1.194 . . . . 0.0 109.279 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.66 -30.72 68.94 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.596 -1.315 . . . . 0.0 109.91 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.95 -21.21 19.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.328 -0.858 . . . . 0.0 112.173 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.87 -34.42 67.82 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.45 -1.406 . . . . 0.0 108.107 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.67 -32.03 71.24 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.107 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.93 0 O-C-N 121.081 -1.012 . . . . 0.0 111.62 176.174 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.43 0.633 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -59.46 2.98 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.051 -1.46 . . . . 0.0 112.295 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.93 -35.35 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.355 -1.466 . . . . 0.0 111.96 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.37 -36.33 90.77 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.896 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.03 -33.96 86.04 Favored Glycine 0 N--CA 1.486 1.997 0 O-C-N 121.092 -1.24 . . . . 0.0 113.114 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.15 -39.88 82.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.571 -1.547 . . . . 0.0 111.345 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.03 -42.64 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.68 -39.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.683 -1.26 . . . . 0.0 110.375 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.88 -39.62 91.9 Favored Glycine 0 N--CA 1.486 1.997 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.221 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.19 77.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.566 -1.55 . . . . 0.0 112.289 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.77 -37.03 82.79 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.043 . . . . 0.0 110.9 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.3 -37.27 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.091 -1.006 . . . . 0.0 112.165 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.42 -45.41 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.879 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.4 -35.61 77.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.498 -0.751 . . . . 0.0 112.252 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.05 77.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.372 -1.455 . . . . 0.0 109.357 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.84 -37.19 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.552 -0.717 . . . . 0.0 111.181 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.441 -1.412 . . . . 0.0 110.383 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.53 35.53 Favored Glycine 0 N--CA 1.491 2.315 0 O-C-N 121.11 -0.994 . . . . 0.0 111.26 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.74 -33.48 64.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.495 -1.591 . . . . 0.0 110.229 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.17 -42.43 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 120.687 -1.258 . . . . 0.0 109.198 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.02 -31.02 69.56 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.56 -1.338 . . . . 0.0 110.076 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.7 -22.7 24.73 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.846 0.858 . . . . 0.0 112.527 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.45 -34.28 68.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.529 -1.357 . . . . 0.0 108.037 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.48 -32.07 71.06 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.048 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.098 0 O-C-N 121.279 -0.888 . . . . 0.0 111.572 175.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.251 0.548 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.28 2.44 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.093 -177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.31 -33.19 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.444 -1.41 . . . . 0.0 111.728 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -36.97 93.51 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.984 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -34.11 85.78 Favored Glycine 0 N--CA 1.481 1.687 0 O-C-N 121.139 -1.212 . . . . 0.0 112.983 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -71.06 -36.65 72.36 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.41 -1.641 . . . . 0.0 111.928 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.21 -42.19 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.89 -37.73 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.185 -0.947 . . . . 0.0 109.98 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.39 -38.16 77.9 Favored Glycine 0 N--CA 1.486 1.979 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.121 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.72 76.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.428 -1.631 . . . . 0.0 112.918 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.03 -37.09 85.8 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.779 -1.201 . . . . 0.0 112.827 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.3 -33.28 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.243 -1.536 . . . . 0.0 111.695 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.62 -46.23 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.387 -1.446 . . . . 0.0 109.654 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.78 -37.49 79.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.642 -0.661 . . . . 0.0 112.166 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.36 -34.81 77.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.519 -1.363 . . . . 0.0 109.666 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.77 -37.09 69.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.555 -0.716 . . . . 0.0 110.704 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.94 75.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.457 -1.402 . . . . 0.0 110.139 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.85 -31.27 31.17 Favored Glycine 0 N--CA 1.491 2.362 0 O-C-N 120.968 -1.082 . . . . 0.0 110.735 -176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.93 -35.01 61.23 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.81 -1.406 . . . . 0.0 109.964 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.38 -42.89 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 120.847 -1.158 . . . . 0.0 109.695 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.85 -31.2 69.54 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.459 -1.4 . . . . 0.0 110.381 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.63 -22.26 21.81 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 112.626 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.36 -34.54 68.91 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.4 -1.438 . . . . 0.0 108.29 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.45 -34.03 70.38 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.296 0.57 . . . . 0.0 111.399 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.957 0 C-N-CA 123.876 0.87 . . . . 0.0 111.707 176.531 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.285 0.564 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 117.476 -1.69 . . . . 0.0 111.44 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.98 -36.25 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.498 -1.376 . . . . 0.0 112.182 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.69 -37.05 92.9 Favored Glycine 0 N--CA 1.49 2.292 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.919 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.87 83.35 Favored Glycine 0 N--CA 1.483 1.778 0 O-C-N 121.171 -1.194 . . . . 0.0 112.692 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -40.11 81.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.53 -1.57 . . . . 0.0 111.442 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.26 -42.86 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.56 -39.69 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 120.759 -1.213 . . . . 0.0 110.106 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -39.78 91.41 Favored Glycine 0 N--CA 1.484 1.85 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.085 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.92 76.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.522 -1.576 . . . . 0.0 111.88 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -38.94 90.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.659 -1.275 . . . . 0.0 111.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.78 -37.87 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.38 -40.02 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 117.688 -1.605 . . . . 0.0 109.443 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.986 -1.071 . . . . 0.0 111.502 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.99 78.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.583 -1.323 . . . . 0.0 109.418 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -60.2 -36.72 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.612 -0.68 . . . . 0.0 110.751 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.48 74.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.639 -1.288 . . . . 0.0 110.083 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.82 -31.01 30.45 Favored Glycine 0 N--CA 1.495 2.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.991 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.33 -34.96 62.13 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.456 -1.614 . . . . 0.0 110.748 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.41 -39.26 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 C-N-CA 118.172 -1.411 . . . . 0.0 109.057 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.65 -30.94 69.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.543 -1.348 . . . . 0.0 109.691 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.72 -21.54 19.17 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.363 -0.836 . . . . 0.0 112.321 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.02 -34.63 68.37 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.46 -1.4 . . . . 0.0 108.214 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.56 -32.61 70.51 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.334 0.588 . . . . 0.0 110.891 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.319 -0.863 . . . . 0.0 112.23 175.717 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.71 0.767 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.49 -59.85 2.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.317 -1.353 . . . . 0.0 112.232 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.47 -34.91 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.533 -1.354 . . . . 0.0 111.767 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -36.76 91.98 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.894 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.34 -34.01 83.13 Favored Glycine 0 N--CA 1.483 1.772 0 O-C-N 121.019 -1.283 . . . . 0.0 112.997 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.1 -35.84 74.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.314 -1.698 . . . . 0.0 111.341 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.4 -41.95 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.877 -0.515 . . . . 0.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.69 -39.71 82.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 120.899 -1.126 . . . . 0.0 109.995 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.12 -39.31 89.64 Favored Glycine 0 N--CA 1.484 1.881 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.298 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -33.97 76.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.356 -1.673 . . . . 0.0 112.564 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.34 -39.27 86.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.942 -1.099 . . . . 0.0 112.343 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.45 -32.82 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.958 -1.089 . . . . 0.0 111.967 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.76 -45.6 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.506 -1.371 . . . . 0.0 109.15 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.74 -37.02 77.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.538 -0.726 . . . . 0.0 112.099 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.71 75.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.745 -1.222 . . . . 0.0 109.471 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.5 -36.66 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.599 -0.688 . . . . 0.0 111.06 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.23 74.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.43 -1.419 . . . . 0.0 110.463 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -31.47 32.57 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.957 -1.089 . . . . 0.0 111.137 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.37 -35.45 62.81 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.519 -1.577 . . . . 0.0 110.149 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.67 -43.36 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.993 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -56.26 -35.56 67.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.062 -1.024 . . . . 0.0 109.951 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.44 -22.35 20.08 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.408 -0.808 . . . . 0.0 112.177 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.64 -34.52 69.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.379 -1.451 . . . . 0.0 108.075 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -61.18 -32.42 72.17 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.234 0.54 . . . . 0.0 111.093 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.269 -0.895 . . . . 0.0 111.188 176.235 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.174 0.511 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.19 2.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 117.667 -1.613 . . . . 0.0 112.037 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.84 -35.95 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.396 -1.44 . . . . 0.0 112.015 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.74 90.93 Favored Glycine 0 N--CA 1.489 2.211 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.185 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.79 84.2 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 121.157 -1.202 . . . . 0.0 112.902 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.36 -35.84 73.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.5 -1.588 . . . . 0.0 111.816 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -64.13 -42.43 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.04 -39.38 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 120.891 -1.131 . . . . 0.0 110.387 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.97 -39.87 92.47 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.151 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.26 77.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.422 -1.634 . . . . 0.0 112.566 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.03 -39.42 92.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.738 -1.226 . . . . 0.0 111.92 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -70.59 -33.46 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.954 -1.091 . . . . 0.0 112.451 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.4 -44.86 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.55 -1.344 . . . . 0.0 109.307 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.29 -34.47 75.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.724 -0.61 . . . . 0.0 111.935 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.86 74.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.557 -1.339 . . . . 0.0 109.63 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.65 -36.48 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.498 -0.751 . . . . 0.0 110.849 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.6 74.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.573 -1.329 . . . . 0.0 110.314 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.83 -30.73 29.82 Favored Glycine 0 N--CA 1.492 2.397 0 O-C-N 121.019 -1.051 . . . . 0.0 111.01 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.49 -35.07 62.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.491 -1.593 . . . . 0.0 110.526 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.3 -41.96 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.622 -1.299 . . . . 0.0 109.359 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.73 -31.18 69.39 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.64 -1.287 . . . . 0.0 109.759 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.94 -21.55 21.35 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.388 -0.82 . . . . 0.0 112.414 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.67 -34.55 69.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.319 -1.488 . . . . 0.0 108.315 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.91 -32.4 70.72 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.243 0.545 . . . . 0.0 110.468 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.925 0 O-C-N 121.281 -0.887 . . . . 0.0 112.156 175.448 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.56 0.695 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.05 -59.37 3.08 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 118.102 -1.439 . . . . 0.0 111.693 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.88 -35.41 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.198 -1.564 . . . . 0.0 111.153 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.32 89.09 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.926 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.81 -33.7 86.18 Favored Glycine 0 N--CA 1.484 1.867 0 O-C-N 121.122 -1.223 . . . . 0.0 112.912 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.24 -39.3 82.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.673 -1.487 . . . . 0.0 111.377 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.63 -41.69 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.78 -38.82 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.777 -1.202 . . . . 0.0 110.431 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.01 91.33 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.596 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.528 -1.572 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.39 -38.15 83.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.104 -0.997 . . . . 0.0 111.334 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.53 -36.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.197 -0.939 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.806 -1.184 . . . . 0.0 109.73 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.68 -35.35 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.4 -0.812 . . . . 0.0 112.219 -178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.21 75.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.49 -1.381 . . . . 0.0 109.502 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.95 -36.51 67.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.634 -0.666 . . . . 0.0 111.252 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.0 74.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.478 -1.389 . . . . 0.0 110.5 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -30.77 32.83 Favored Glycine 0 N--CA 1.493 2.433 0 O-C-N 120.965 -1.084 . . . . 0.0 111.874 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.42 -33.2 63.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.327 -1.69 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.44 -42.01 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.809 -1.182 . . . . 0.0 109.73 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.67 -30.99 69.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.671 -1.268 . . . . 0.0 110.205 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -23.12 31.9 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.532 0.733 . . . . 0.0 112.669 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.05 -34.56 68.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.41 -1.431 . . . . 0.0 107.631 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.18 -34.5 72.19 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.358 0.663 . . . . 0.0 109.977 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.052 0 O-C-N 120.731 -1.231 . . . . 0.0 111.928 176.446 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.228 0.537 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.69 2.14 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.658 -1.617 . . . . 0.0 112.421 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -35.4 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.624 -1.297 . . . . 0.0 112.529 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.94 94.03 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.499 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.85 -33.87 80.23 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.068 -1.254 . . . . 0.0 112.874 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.22 -39.87 82.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.42 -1.635 . . . . 0.0 111.505 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.15 -43.05 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.89 -40.07 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.673 -1.267 . . . . 0.0 110.126 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.06 -39.6 89.98 Favored Glycine 0 N--CA 1.484 1.84 0 C-N-CA 120.31 -0.947 . . . . 0.0 110.964 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.07 77.35 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.644 -1.503 . . . . 0.0 112.048 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.26 -38.73 90.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.726 -1.234 . . . . 0.0 111.632 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.26 -37.93 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.57 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 117.365 -1.734 . . . . 0.0 109.651 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.04 -34.95 75.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.987 -1.071 . . . . 0.0 111.391 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.21 79.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.724 -1.235 . . . . 0.0 109.328 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.71 -36.99 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.546 -0.721 . . . . 0.0 110.748 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.67 74.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.759 -1.213 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.04 -31.86 33.81 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 121.042 -1.036 . . . . 0.0 111.017 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.16 -34.59 60.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.707 -1.467 . . . . 0.0 110.062 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.15 -43.3 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 118.911 -1.116 . . . . 0.0 109.68 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.75 -31.26 69.48 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.695 -1.253 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.04 -21.04 19.31 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.37 -0.831 . . . . 0.0 112.6 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.32 -34.54 68.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.522 -1.362 . . . . 0.0 108.063 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.28 -32.6 70.17 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.922 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 C-N-CA 123.939 0.895 . . . . 0.0 112.277 175.408 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 121.368 0.604 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.21 -60.2 2.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 117.773 -1.571 . . . . 0.0 112.187 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -36.08 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.234 -1.541 . . . . 0.0 111.962 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.41 -35.46 91.05 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.72 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.56 -33.67 85.72 Favored Glycine 0 N--CA 1.482 1.711 0 O-C-N 121.221 -1.164 . . . . 0.0 112.728 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.45 -39.08 81.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.687 -1.478 . . . . 0.0 111.759 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.68 -42.42 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.21 -38.44 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.688 -1.257 . . . . 0.0 110.741 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.42 -38.74 88.51 Favored Glycine 0 N--CA 1.486 1.969 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.079 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.71 76.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.738 -1.448 . . . . 0.0 112.066 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.04 -37.45 82.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.993 -1.067 . . . . 0.0 111.788 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.13 -36.99 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.32 -37.98 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.998 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.46 -36.77 79.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.033 . . . . 0.0 111.972 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.51 77.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.72 -1.238 . . . . 0.0 110.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.64 -36.37 65.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 110.368 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.42 73.91 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.649 -1.282 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.77 -30.55 28.88 Favored Glycine 0 N--CA 1.492 2.398 0 O-C-N 120.76 -1.213 . . . . 0.0 111.133 -176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.63 -34.84 59.93 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.488 . . . . 0.0 109.981 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.85 -42.56 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 120.652 -1.28 . . . . 0.0 109.887 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.04 68.93 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.44 -1.413 . . . . 0.0 110.193 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.12 -22.41 16.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.173 -0.954 . . . . 0.0 112.25 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.97 -34.81 68.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.369 -1.457 . . . . 0.0 108.906 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.61 -33.76 70.38 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.513 0.673 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.342 -0.849 . . . . 0.0 111.666 176.825 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.322 0.582 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 -60.64 2.15 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 117.774 -1.57 . . . . 0.0 112.199 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.89 -35.66 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.457 -1.402 . . . . 0.0 111.99 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.19 -35.68 91.23 Favored Glycine 0 N--CA 1.49 2.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.934 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -33.72 83.1 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 121.147 -1.208 . . . . 0.0 112.609 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.46 -35.43 73.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.586 -1.538 . . . . 0.0 111.73 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.68 -42.72 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.1 -39.22 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.867 -1.146 . . . . 0.0 110.565 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.24 -38.83 88.48 Favored Glycine 0 N--CA 1.485 1.957 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.786 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.68 76.44 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.697 -1.473 . . . . 0.0 111.775 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.01 -36.85 84.95 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.679 -1.263 . . . . 0.0 111.606 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.87 -37.76 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.26 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 C-N-CA 117.74 -1.584 . . . . 0.0 109.796 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.66 -35.3 77.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 111.579 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.81 77.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.679 -1.263 . . . . 0.0 109.747 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.86 -36.89 69.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.557 -0.714 . . . . 0.0 110.646 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.79 75.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.544 -1.348 . . . . 0.0 109.98 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.89 -30.58 29.88 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 120.877 -1.139 . . . . 0.0 111.333 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.06 -32.85 62.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.588 -1.536 . . . . 0.0 109.589 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -52.86 -42.34 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 C-N-CA 119.08 -1.048 . . . . 0.0 109.696 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.59 -30.45 68.68 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.601 -1.312 . . . . 0.0 110.34 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.47 -21.65 17.31 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.411 -0.806 . . . . 0.0 112.185 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.3 -34.9 69.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.404 -1.435 . . . . 0.0 108.289 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -57.9 -33.78 69.12 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.624 0.725 . . . . 0.0 110.595 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.971 0 O-C-N 121.351 -0.843 . . . . 0.0 112.614 176.625 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -118.57 138.69 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.228 -1.16 . . . . 0.0 109.282 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -113.66 28.56 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.149 -0.969 . . . . 0.0 110.789 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -165.88 -45.18 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.461 -1.4 . . . . 0.0 111.414 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.21 -46.95 88.01 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 117.153 -1.819 . . . . 0.0 106.665 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -63.06 -26.03 68.65 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.874 0.869 . . . . 0.0 112.663 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.56 84.14 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.239 -1.385 . . . . 0.0 108.82 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -58.59 -35.57 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.001 -1.062 . . . . 0.0 110.914 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -66.78 -34.94 78.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.059 -1.651 . . . . 0.0 109.772 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.98 -46.66 82.05 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.672 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.19 90.98 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 117.867 -1.533 . . . . 0.0 108.704 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.39 -48.84 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 C-N-CA 118.532 -1.267 . . . . 0.0 108.331 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.74 -42.19 88.2 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 122.607 1.194 . . . . 0.0 108.634 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -107.79 46.88 0.92 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.797 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.08 -58.46 14.44 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.072 -2.011 . . . . 0.0 108.072 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 154.6 81.03 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.021 0 C-N-CA 123.671 0.788 . . . . 0.0 112.496 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.85 113.88 4.71 Favored Glycine 0 N--CA 1.498 2.784 0 O-C-N 119.472 -2.017 . . . . 0.0 108.22 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -178.03 85.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.271 -1.135 . . . . 0.0 109.644 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 58.22 -1.52 0.09 Allowed 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.006 -1.684 . . . . 0.0 112.794 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -63.35 -34.15 77.07 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.484 -1.385 . . . . 0.0 111.81 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -60.4 2.32 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 117.813 -1.555 . . . . 0.0 112.127 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.52 -35.51 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.426 -1.421 . . . . 0.0 111.805 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.96 91.45 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.991 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.6 83.1 Favored Glycine 0 N--CA 1.484 1.886 0 O-C-N 121.157 -1.201 . . . . 0.0 112.94 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.57 -35.82 73.28 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.502 -1.587 . . . . 0.0 111.885 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.84 -42.53 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.05 -39.37 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 120.925 -1.11 . . . . 0.0 110.673 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.79 -39.3 91.21 Favored Glycine 0 N--CA 1.487 2.055 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.384 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.6 76.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.627 -1.514 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.84 -36.39 83.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.912 -1.117 . . . . 0.0 111.597 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.39 -36.73 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.971 -1.08 . . . . 0.0 113.358 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.28 -37.52 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.632 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.59 -35.42 77.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.817 -1.177 . . . . 0.0 111.865 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.537 -1.352 . . . . 0.0 109.81 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.54 -37.12 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.476 -0.765 . . . . 0.0 111.072 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -34.52 74.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.633 -1.292 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.86 -31.14 31.02 Favored Glycine 0 N--CA 1.489 2.188 0 O-C-N 121.013 -1.054 . . . . 0.0 111.23 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.14 -35.14 61.9 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.598 -1.531 . . . . 0.0 110.177 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.01 -42.64 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 120.8 -1.188 . . . . 0.0 109.212 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.15 -31.53 70.18 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.548 -1.345 . . . . 0.0 110.166 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.1 -21.47 22.43 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.508 -0.745 . . . . 0.0 112.033 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.48 -34.85 69.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.416 -1.428 . . . . 0.0 108.334 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.05 -32.0 70.5 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.335 0.588 . . . . 0.0 110.657 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -59.15 -28.81 66.93 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.255 -0.903 . . . . 0.0 111.823 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 64.72 46.83 2.96 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.682 0.753 . . . . 0.0 109.671 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.114 -0.991 . . . . 0.0 110.1 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -119.24 138.26 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -1.11 . . . . 0.0 109.595 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -113.65 29.8 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.983 -1.073 . . . . 0.0 111.358 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -166.41 -42.72 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.414 -1.429 . . . . 0.0 110.732 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.45 -46.34 90.42 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 105.321 -2.103 . . . . 0.0 105.321 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -58.53 -29.74 66.55 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 124.355 1.062 . . . . 0.0 113.161 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.6 85.65 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.118 -1.433 . . . . 0.0 109.311 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -59.23 -36.14 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 C-N-CA 118.866 -1.134 . . . . 0.0 111.568 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.37 -33.89 77.02 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 119.875 -1.766 . . . . 0.0 110.341 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.39 -44.96 80.73 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.168 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.71 88.61 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.774 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -61.27 -47.85 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 C-N-CA 118.31 -1.356 . . . . 0.0 108.004 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -57.61 -42.17 82.72 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 122.389 1.09 . . . . 0.0 108.187 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -120.49 60.71 0.88 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.266 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -55.6 28.91 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 107.436 -2.266 . . . . 0.0 107.436 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 158.04 78.42 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.953 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.62 114.66 4.46 Favored Glycine 0 N--CA 1.5 2.922 0 O-C-N 119.228 -2.17 . . . . 0.0 108.953 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -178.97 84.67 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.279 -1.13 . . . . 0.0 108.594 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 54.92 -3.3 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.759 0 O-C-N 119.995 -1.69 . . . . 0.0 113.807 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -62.89 -34.84 78.25 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.454 -1.404 . . . . 0.0 111.251 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.92 -58.88 3.52 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.237 -1.385 . . . . 0.0 111.722 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.13 -35.82 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.252 -1.53 . . . . 0.0 111.065 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.14 -35.9 89.03 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.466 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.68 85.2 Favored Glycine 0 N--CA 1.484 1.9 0 O-C-N 121.179 -1.189 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.16 -39.64 82.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.516 -1.579 . . . . 0.0 110.863 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.65 -42.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -70.93 -35.36 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.73 -1.231 . . . . 0.0 109.979 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.19 92.31 Favored Glycine 0 N--CA 1.484 1.853 0 C-N-CA 120.021 -1.085 . . . . 0.0 111.066 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.07 77.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.62 -1.518 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.45 -38.69 84.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.915 -1.115 . . . . 0.0 111.129 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.44 -37.16 79.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.246 -0.909 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.42 -45.06 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 118.525 -1.27 . . . . 0.0 109.703 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.48 -37.36 78.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.469 -0.769 . . . . 0.0 111.484 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.52 76.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.418 -1.426 . . . . 0.0 109.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.51 -36.88 67.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.502 -0.749 . . . . 0.0 111.007 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.09 75.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.538 -1.351 . . . . 0.0 110.604 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -31.62 37.7 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 121.017 -1.052 . . . . 0.0 111.548 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.29 63.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.39 -1.653 . . . . 0.0 110.128 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.6 -42.84 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 120.72 -1.238 . . . . 0.0 109.613 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.63 -31.48 69.54 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.518 -1.364 . . . . 0.0 109.725 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.75 -21.38 27.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.434 -0.791 . . . . 0.0 112.515 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -34.52 70.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.141 -1.6 . . . . 0.0 107.495 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.47 -34.47 70.91 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -62.1 -26.32 68.22 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.647 -1.283 . . . . 0.0 112.158 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.5 46.96 4.03 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 121.655 0.74 . . . . 0.0 109.563 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 120.942 -1.099 . . . . 0.0 110.165 -179.871 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -107.25 34.09 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.262 -1.14 . . . . 0.0 109.48 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -95.52 15.94 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.613 -0.679 . . . . 0.0 109.797 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 177.61 -23.16 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.611 -0.681 . . . . 0.0 111.602 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -61.12 -47.66 85.23 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 117.136 -1.825 . . . . 0.0 106.233 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.44 -29.54 67.85 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.246 1.018 . . . . 0.0 113.298 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.29 84.7 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 118.382 -1.327 . . . . 0.0 109.246 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.97 -35.59 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 120.722 -1.236 . . . . 0.0 110.517 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.55 -34.35 78.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.16 -1.587 . . . . 0.0 110.101 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.12 -46.96 82.22 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 118.956 -1.097 . . . . 0.0 109.201 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.93 86.56 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 117.608 -1.637 . . . . 0.0 108.635 -178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.31 -49.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 C-N-CA 118.496 -1.282 . . . . 0.0 108.673 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.15 -42.75 91.42 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-O 122.414 1.102 . . . . 0.0 108.727 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -110.07 53.04 0.7 Allowed 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.998 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.33 -56.83 11.9 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -136.2 -133.69 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.374 -1.074 . . . . 0.0 110.032 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.06 21.96 6.78 Favored Glycine 0 N--CA 1.501 3.011 0 O-C-N 120.713 -1.242 . . . . 0.0 111.542 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 109.06 -157.53 0.0 OUTLIER 'General case' 0 N--CA 1.533 3.676 0 C-N-CA 125.207 1.403 . . . . 0.0 110.853 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 42.46 -98.58 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 0.0 113.13 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.51 -34.36 76.74 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.906 -1.121 . . . . 0.0 112.088 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -60.88 2.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.37 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.83 -36.27 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.638 -1.289 . . . . 0.0 112.593 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -36.94 92.73 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.615 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.83 78.56 Favored Glycine 0 N--CA 1.482 1.72 0 O-C-N 121.342 -1.093 . . . . 0.0 112.727 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.35 -35.6 73.67 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.36 -1.67 . . . . 0.0 111.689 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.43 -43.51 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.07 -39.87 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.953 -1.092 . . . . 0.0 110.433 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.35 88.88 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.658 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.84 76.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.553 -1.557 . . . . 0.0 111.731 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -39.05 90.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.575 -1.328 . . . . 0.0 111.465 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.37 -37.81 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.2 -40.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 117.646 -1.622 . . . . 0.0 109.555 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.55 -37.02 77.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.114 -0.991 . . . . 0.0 111.556 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.22 78.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.833 -1.167 . . . . 0.0 109.811 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.28 -37.08 67.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.565 -0.71 . . . . 0.0 110.279 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.63 74.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.603 -1.31 . . . . 0.0 109.78 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.55 33.57 Favored Glycine 0 N--CA 1.493 2.488 0 O-C-N 120.836 -1.165 . . . . 0.0 110.866 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.32 -33.53 63.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.643 -1.504 . . . . 0.0 110.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.65 -43.11 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.641 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.18 69.07 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.256 -1.528 . . . . 0.0 110.486 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.17 -21.44 22.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.289 -0.882 . . . . 0.0 112.445 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.45 -35.23 71.82 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.092 -1.63 . . . . 0.0 108.775 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.51 -33.32 71.21 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 121.563 0.697 . . . . 0.0 109.297 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -58.22 -28.44 64.84 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.966 -1.084 . . . . 0.0 111.841 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 64.81 46.18 3.08 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.77 0.795 . . . . 0.0 109.39 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 0.0 110.166 -179.831 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -128.33 128.53 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.041 -1.27 . . . . 0.0 109.447 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -136.54 146.33 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.267 -1.52 . . . . 0.0 110.798 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 178.21 -47.42 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.956 -1.09 . . . . 0.0 109.645 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.55 -42.58 71.11 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.57 -42.73 79.1 Favored 'General case' 0 C--N 1.293 -1.866 0 C-N-CA 118.038 -1.465 . . . . 0.0 107.934 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.76 98.45 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.528 0.68 . . . . 0.0 110.529 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.15 -31.29 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.657 -175.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -63.54 -34.35 77.61 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 120.445 -1.409 . . . . 0.0 109.626 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.03 -47.82 79.98 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.271 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.06 -45.63 93.97 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.594 -1.642 . . . . 0.0 108.25 -178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.7 -48.97 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 118.857 -1.137 . . . . 0.0 108.618 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.81 -43.26 94.6 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-O 122.434 1.111 . . . . 0.0 109.13 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -107.83 47.1 0.91 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.987 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -64.44 -64.11 3.83 Favored Glycine 0 N--CA 1.487 2.096 0 C-N-CA 119.301 -1.428 . . . . 0.0 111.024 -178.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 179.64 -46.11 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.917 -0.755 . . . . 0.0 111.821 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 39.21 78.8 0.05 OUTLIER Glycine 0 N--CA 1.507 3.403 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 102.53 -153.41 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.075 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 43.08 -92.87 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 119.885 -1.759 . . . . 0.0 114.826 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -63.08 -34.61 77.96 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 120.764 -1.21 . . . . 0.0 112.327 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -60.23 2.42 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.243 -1.783 . . . . 0.0 111.912 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.78 -36.14 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.609 -1.307 . . . . 0.0 112.397 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.57 -37.62 93.66 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.391 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.83 -33.75 79.61 Favored Glycine 0 N--CA 1.482 1.746 0 O-C-N 121.284 -1.127 . . . . 0.0 112.835 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.08 -39.38 82.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.454 -1.615 . . . . 0.0 111.212 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.47 -43.39 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.08 -39.78 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.672 -1.267 . . . . 0.0 110.424 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.8 -39.37 87.35 Favored Glycine 0 N--CA 1.485 1.919 0 C-N-CA 120.115 -1.04 . . . . 0.0 110.591 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.69 76.37 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 120.684 -1.48 . . . . 0.0 111.721 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.95 -39.17 91.19 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.634 -1.291 . . . . 0.0 111.353 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.99 -37.5 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -67.68 -39.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.591 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.18 -35.26 76.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.237 -0.915 . . . . 0.0 111.788 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.61 80.57 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.697 -1.252 . . . . 0.0 109.747 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.92 -37.06 70.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.634 -0.666 . . . . 0.0 110.572 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.28 74.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 109.561 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.03 -31.51 33.02 Favored Glycine 0 N--CA 1.495 2.567 0 O-C-N 121.035 -1.041 . . . . 0.0 110.66 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.77 -34.38 58.87 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.931 -1.335 . . . . 0.0 109.387 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.03 -43.48 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.845 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.5 -31.38 69.31 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.42 -1.425 . . . . 0.0 110.613 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.34 -21.02 21.77 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -0.874 . . . . 0.0 112.912 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -35.11 71.05 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.018 -1.676 . . . . 0.0 108.745 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.27 -33.22 70.79 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -57.94 -29.02 64.83 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.873 -1.142 . . . . 0.0 112.147 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 59.18 -78.06 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 122.102 -0.374 . . . . 0.0 111.773 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 O-C-N 120.573 -1.329 . . . . 0.0 110.641 -179.462 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -105.38 41.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.228 -1.16 . . . . 0.0 109.805 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -103.5 14.42 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.405 -0.81 . . . . 0.0 110.072 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -178.94 -25.92 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.514 -0.741 . . . . 0.0 111.277 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.62 -47.1 87.74 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.01 -29.65 67.41 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.6 84.54 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 118.139 -1.425 . . . . 0.0 109.276 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.98 -35.46 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 120.648 -1.282 . . . . 0.0 111.425 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.75 -33.65 76.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 119.976 -1.703 . . . . 0.0 111.459 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -58.4 -41.17 84.33 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 117.783 -1.567 . . . . 0.0 108.229 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.12 84.94 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 117.855 -1.538 . . . . 0.0 108.807 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.38 -48.07 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 C-N-CA 118.559 -1.256 . . . . 0.0 107.685 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.1 -42.58 85.98 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 122.296 1.046 . . . . 0.0 108.741 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -117.69 54.33 0.9 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.868 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.19 -54.26 28.28 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -132.99 -139.78 0.19 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.596 -0.943 . . . . 0.0 111.649 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.52 16.71 9.21 Favored Glycine 0 N--CA 1.495 2.589 0 O-C-N 120.84 -1.163 . . . . 0.0 111.391 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 111.29 -150.67 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.343 0 C-N-CA 124.739 1.216 . . . . 0.0 109.766 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 39.0 -103.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.149 -0.97 . . . . 0.0 113.483 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.78 -34.65 77.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.581 -1.325 . . . . 0.0 113.158 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.68 2.13 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 117.501 -1.68 . . . . 0.0 112.835 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.73 -35.19 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.485 -1.384 . . . . 0.0 112.553 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.32 93.0 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.946 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.94 83.62 Favored Glycine 0 N--CA 1.481 1.67 0 O-C-N 121.117 -1.225 . . . . 0.0 112.696 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.28 -39.91 82.0 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.569 -1.547 . . . . 0.0 111.54 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.98 -42.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.6 -40.06 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 120.782 -1.199 . . . . 0.0 110.081 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.71 -39.5 91.33 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.349 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.88 -33.88 76.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.537 -1.566 . . . . 0.0 111.987 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.38 -38.64 87.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.89 -1.131 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.31 -37.27 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.46 -38.42 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.07 -36.91 78.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.819 -1.176 . . . . 0.0 111.195 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.2 -35.21 78.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.472 -1.393 . . . . 0.0 109.86 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.4 -37.26 68.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.513 -0.742 . . . . 0.0 110.584 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.94 -34.76 75.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.61 -1.306 . . . . 0.0 110.219 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.71 33.85 Favored Glycine 0 N--CA 1.492 2.396 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.58 -34.66 62.3 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.703 -1.469 . . . . 0.0 110.046 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.19 -43.39 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 109.375 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.93 -31.16 69.58 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.583 -1.323 . . . . 0.0 110.161 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -21.25 20.91 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.412 -0.805 . . . . 0.0 112.219 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.86 -34.67 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.438 -1.413 . . . . 0.0 108.071 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.64 -32.41 71.57 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.089 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.54 -27.14 68.4 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.132 -0.98 . . . . 0.0 111.613 176.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 56.66 -82.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.901 -0.499 . . . . 0.0 111.586 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 O-C-N 120.439 -1.413 . . . . 0.0 110.346 -179.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . 57.42 23.72 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.243 -1.151 . . . . 0.0 109.78 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -101.83 14.82 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.558 -0.714 . . . . 0.0 109.843 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -179.48 -24.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.575 -0.703 . . . . 0.0 111.223 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.57 -47.3 86.78 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.09 -29.56 67.45 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 123.984 0.913 . . . . 0.0 113.371 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.52 84.63 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 118.11 -1.436 . . . . 0.0 109.258 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -59.06 -35.77 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.81 -1.181 . . . . 0.0 111.575 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.86 -34.25 77.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 119.89 -1.756 . . . . 0.0 110.148 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.45 -46.11 80.49 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.862 -1.135 . . . . 0.0 108.681 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.1 -46.22 91.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.01 -1.476 . . . . 0.0 108.849 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.67 -48.53 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 C-N-CA 118.267 -1.373 . . . . 0.0 108.378 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.69 -42.89 94.0 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 122.446 1.117 . . . . 0.0 109.093 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -109.47 45.93 1.04 Allowed 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.185 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -58.26 -57.45 19.75 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 107.7 -2.16 . . . . 0.0 107.7 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 153.8 81.39 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.004 0 C-N-CA 123.566 0.746 . . . . 0.0 112.158 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.17 113.78 4.72 Favored Glycine 0 N--CA 1.497 2.74 0 O-C-N 119.56 -1.963 . . . . 0.0 108.326 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -177.48 85.07 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.294 -1.121 . . . . 0.0 109.45 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 57.85 0.28 0.11 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.126 -1.609 . . . . 0.0 113.073 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.29 -35.45 79.07 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.4 -1.438 . . . . 0.0 111.989 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -59.98 2.59 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 118.096 -1.441 . . . . 0.0 112.275 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.25 -35.44 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.298 -1.501 . . . . 0.0 111.877 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.15 90.75 Favored Glycine 0 N--CA 1.488 2.137 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.885 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.9 86.12 Favored Glycine 0 N--CA 1.484 1.89 0 O-C-N 121.132 -1.216 . . . . 0.0 112.919 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -39.53 81.26 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.473 -1.604 . . . . 0.0 111.248 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.7 -42.36 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.97 -39.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.84 -1.163 . . . . 0.0 110.212 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.2 90.44 Favored Glycine 0 N--CA 1.486 1.987 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.387 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.42 -33.72 76.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.339 -1.683 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.88 -39.27 88.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.079 . . . . 0.0 112.495 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.79 -32.63 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 112.179 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.43 -45.33 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.458 -1.401 . . . . 0.0 109.283 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.45 -35.11 76.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.697 -0.627 . . . . 0.0 111.954 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.88 77.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.521 -1.362 . . . . 0.0 109.443 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.98 -36.94 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.978 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -34.9 75.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.624 -1.297 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -31.17 33.73 Favored Glycine 0 N--CA 1.49 2.289 0 O-C-N 121.143 -0.973 . . . . 0.0 111.334 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.28 63.93 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.548 -1.56 . . . . 0.0 110.055 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.32 -42.31 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 120.79 -1.194 . . . . 0.0 109.279 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.66 -30.72 68.94 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.596 -1.315 . . . . 0.0 109.91 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.95 -21.21 19.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.328 -0.858 . . . . 0.0 112.173 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.87 -34.42 67.82 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.45 -1.406 . . . . 0.0 108.107 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.67 -32.03 71.24 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.107 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.79 -27.02 68.46 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.081 -1.012 . . . . 0.0 111.62 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.44 46.33 4.38 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.635 0.731 . . . . 0.0 109.702 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 120.94 -1.1 . . . . 0.0 110.137 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -108.97 24.81 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -1.163 . . . . 0.0 110.231 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -98.24 26.23 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -172.22 -34.28 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.456 -0.777 . . . . 0.0 111.151 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -62.56 -47.95 81.6 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 117.074 -1.851 . . . . 0.0 106.169 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -60.58 -30.47 69.82 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.86 92.15 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.191 -1.404 . . . . 0.0 109.822 -177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -62.06 -35.31 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 120.932 -1.105 . . . . 0.0 112.48 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -68.37 -35.8 78.25 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 119.787 -1.821 . . . . 0.0 110.227 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.99 -47.13 83.92 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.758 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.68 81.49 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.882 -1.527 . . . . 0.0 109.812 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -62.76 -50.46 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 C-N-CA 117.894 -1.522 . . . . 0.0 108.959 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -61.53 -45.07 95.75 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 122.115 0.96 . . . . 0.0 109.794 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -85.47 72.48 10.64 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.544 -0.862 . . . . 0.0 111.661 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.49 -47.12 91.75 Favored Glycine 0 N--CA 1.489 2.182 0 C-N-CA 117.695 -2.193 . . . . 0.0 107.867 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -71.05 109.16 4.97 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.833 1.302 . . . . 0.0 113.295 -173.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.4 -174.5 41.83 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -79.02 88.43 4.79 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 176.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 57.74 -5.36 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.522 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -61.88 -35.7 79.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.418 -1.426 . . . . 0.0 112.107 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -59.46 2.98 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.051 -1.46 . . . . 0.0 112.295 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.93 -35.35 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.355 -1.466 . . . . 0.0 111.96 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.37 -36.33 90.77 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.896 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.03 -33.96 86.04 Favored Glycine 0 N--CA 1.486 1.997 0 O-C-N 121.092 -1.24 . . . . 0.0 113.114 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.15 -39.88 82.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.571 -1.547 . . . . 0.0 111.345 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.03 -42.64 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.68 -39.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.683 -1.26 . . . . 0.0 110.375 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.88 -39.62 91.9 Favored Glycine 0 N--CA 1.486 1.997 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.221 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.19 77.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.566 -1.55 . . . . 0.0 112.289 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.77 -37.03 82.79 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.043 . . . . 0.0 110.9 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.3 -37.27 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.091 -1.006 . . . . 0.0 112.165 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.42 -45.41 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.879 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.4 -35.61 77.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.498 -0.751 . . . . 0.0 112.252 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.05 77.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.372 -1.455 . . . . 0.0 109.357 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.84 -37.19 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.552 -0.717 . . . . 0.0 111.181 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.441 -1.412 . . . . 0.0 110.383 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.53 35.53 Favored Glycine 0 N--CA 1.491 2.315 0 O-C-N 121.11 -0.994 . . . . 0.0 111.26 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.74 -33.48 64.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.495 -1.591 . . . . 0.0 110.229 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.17 -42.43 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 120.687 -1.258 . . . . 0.0 109.198 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.02 -31.02 69.56 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.56 -1.338 . . . . 0.0 110.076 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.7 -22.7 24.73 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.846 0.858 . . . . 0.0 112.527 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.45 -34.28 68.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.529 -1.357 . . . . 0.0 108.037 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.48 -32.07 71.06 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.048 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.89 -26.91 68.44 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.279 -0.888 . . . . 0.0 111.572 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 54.16 -84.95 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.926 -0.484 . . . . 0.0 111.539 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.745 0 O-C-N 120.362 -1.461 . . . . 0.0 110.493 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -114.77 17.33 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -1.112 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -132.77 146.41 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.796 -1.19 . . . . 0.0 110.097 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -176.55 -51.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.002 -1.061 . . . . 0.0 108.249 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.72 -42.49 71.6 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.59 -42.72 79.18 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 117.721 -1.592 . . . . 0.0 107.638 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.72 98.06 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -57.37 -31.42 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.684 -175.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -63.18 -33.78 76.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.376 -1.453 . . . . 0.0 109.64 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.86 -46.7 81.62 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 118.743 -1.183 . . . . 0.0 109.159 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.1 91.89 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 117.719 -1.593 . . . . 0.0 108.245 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.24 -48.09 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 C-N-CA 118.579 -1.248 . . . . 0.0 108.086 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.52 -42.74 88.42 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 122.147 0.975 . . . . 0.0 108.719 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -118.48 58.55 0.83 Allowed 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.998 0.904 . . . . 0.0 109.604 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.38 -63.56 3.2 Favored Glycine 0 N--CA 1.484 1.854 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 179.75 -46.89 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.85 -0.794 . . . . 0.0 111.739 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 42.56 77.18 0.09 OUTLIER Glycine 0 N--CA 1.503 3.126 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 103.81 -147.54 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.068 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 42.61 -95.09 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.054 -1.654 . . . . 0.0 114.814 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.58 -35.63 80.1 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.743 -1.223 . . . . 0.0 112.136 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.28 2.44 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.093 -177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.31 -33.19 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.444 -1.41 . . . . 0.0 111.728 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -36.97 93.51 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.984 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -34.11 85.78 Favored Glycine 0 N--CA 1.481 1.687 0 O-C-N 121.139 -1.212 . . . . 0.0 112.983 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -71.06 -36.65 72.36 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.41 -1.641 . . . . 0.0 111.928 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.21 -42.19 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.89 -37.73 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.185 -0.947 . . . . 0.0 109.98 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.39 -38.16 77.9 Favored Glycine 0 N--CA 1.486 1.979 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.121 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.72 76.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.428 -1.631 . . . . 0.0 112.918 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.03 -37.09 85.8 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.779 -1.201 . . . . 0.0 112.827 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.3 -33.28 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.243 -1.536 . . . . 0.0 111.695 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.62 -46.23 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.387 -1.446 . . . . 0.0 109.654 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.78 -37.49 79.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.642 -0.661 . . . . 0.0 112.166 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.36 -34.81 77.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.519 -1.363 . . . . 0.0 109.666 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.77 -37.09 69.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.555 -0.716 . . . . 0.0 110.704 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.94 75.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.457 -1.402 . . . . 0.0 110.139 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.85 -31.27 31.17 Favored Glycine 0 N--CA 1.491 2.362 0 O-C-N 120.968 -1.082 . . . . 0.0 110.735 -176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.93 -35.01 61.23 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.81 -1.406 . . . . 0.0 109.964 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.38 -42.89 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 120.847 -1.158 . . . . 0.0 109.695 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.85 -31.2 69.54 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.459 -1.4 . . . . 0.0 110.381 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.63 -22.26 21.81 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 112.626 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.36 -34.54 68.91 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.4 -1.438 . . . . 0.0 108.29 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.45 -34.03 70.38 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.296 0.57 . . . . 0.0 111.399 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.84 -26.26 68.02 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.876 0.87 . . . . 0.0 111.707 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.71 -37.11 70.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.586 -0.696 . . . . 0.0 110.588 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.024 -1.047 . . . . 0.0 110.396 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -111.04 16.95 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.169 -1.194 . . . . 0.0 110.436 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -133.09 147.74 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.67 -1.269 . . . . 0.0 110.443 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 175.92 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.84 -42.7 72.28 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 118.758 -1.177 . . . . 0.0 108.035 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.49 -42.69 78.71 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 117.936 -1.506 . . . . 0.0 107.6 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.13 99.33 Favored 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.566 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -58.38 -31.34 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 C-N-CA 119.624 -0.83 . . . . 0.0 111.166 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -64.6 -34.18 77.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.376 -1.453 . . . . 0.0 109.829 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.24 -47.09 82.24 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.59 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.54 93.77 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 117.816 -1.553 . . . . 0.0 108.31 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -58.93 -48.31 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 C-N-CA 118.692 -1.203 . . . . 0.0 107.982 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.06 -42.74 91.04 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 122.519 1.152 . . . . 0.0 108.566 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -107.22 48.1 0.86 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.409 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -60.64 8.09 Favored Glycine 0 N--CA 1.486 2.029 0 C-N-CA 118.172 -1.966 . . . . 0.0 108.991 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 170.53 -36.9 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 CA-C-O 121.338 0.589 . . . . 0.0 111.272 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 40.45 81.75 0.02 OUTLIER Glycine 0 N--CA 1.504 3.199 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 106.89 -154.87 0.0 OUTLIER 'General case' 0 N--CA 1.528 3.43 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 43.74 -87.67 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 119.847 -1.783 . . . . 0.0 115.652 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -61.78 -36.66 81.71 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.941 -1.1 . . . . 0.0 112.385 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 117.476 -1.69 . . . . 0.0 111.44 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.98 -36.25 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.498 -1.376 . . . . 0.0 112.182 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.69 -37.05 92.9 Favored Glycine 0 N--CA 1.49 2.292 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.919 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.87 83.35 Favored Glycine 0 N--CA 1.483 1.778 0 O-C-N 121.171 -1.194 . . . . 0.0 112.692 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -40.11 81.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.53 -1.57 . . . . 0.0 111.442 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.26 -42.86 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.56 -39.69 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 120.759 -1.213 . . . . 0.0 110.106 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -39.78 91.41 Favored Glycine 0 N--CA 1.484 1.85 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.085 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.92 76.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.522 -1.576 . . . . 0.0 111.88 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -38.94 90.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.659 -1.275 . . . . 0.0 111.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.78 -37.87 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.38 -40.02 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 117.688 -1.605 . . . . 0.0 109.443 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.986 -1.071 . . . . 0.0 111.502 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.99 78.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.583 -1.323 . . . . 0.0 109.418 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -60.2 -36.72 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.612 -0.68 . . . . 0.0 110.751 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.48 74.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.639 -1.288 . . . . 0.0 110.083 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.82 -31.01 30.45 Favored Glycine 0 N--CA 1.495 2.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.991 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.33 -34.96 62.13 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.456 -1.614 . . . . 0.0 110.748 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.41 -39.26 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 C-N-CA 118.172 -1.411 . . . . 0.0 109.057 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.65 -30.94 69.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.543 -1.348 . . . . 0.0 109.691 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.72 -21.54 19.17 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.363 -0.836 . . . . 0.0 112.321 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.02 -34.63 68.37 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.46 -1.4 . . . . 0.0 108.214 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.56 -32.61 70.51 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.334 0.588 . . . . 0.0 110.891 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -59.39 -28.93 67.34 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.319 -0.863 . . . . 0.0 112.23 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.88 46.73 3.78 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.601 0.715 . . . . 0.0 109.626 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.057 . . . . 0.0 110.153 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -177.83 -40.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.39 -1.065 . . . . 0.0 110.142 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -101.68 6.35 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.277 -0.889 . . . . 0.0 109.981 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -74.32 -73.27 0.24 Allowed 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.856 -1.153 . . . . 0.0 111.47 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -70.36 -34.42 72.6 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 122.269 1.033 . . . . 0.0 112.621 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -58.94 -51.57 69.47 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.82 -1.152 . . . . 0.0 112.342 -174.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.11 74.14 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 116.596 -2.042 . . . . 0.0 109.835 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -67.58 -47.87 78.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 116.703 -1.999 . . . . 0.0 109.448 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -61.08 -47.38 86.6 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 117.238 -1.785 . . . . 0.0 109.719 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -59.45 -47.31 85.96 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.521 -1.671 . . . . 0.0 108.531 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -64.36 -49.46 71.55 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.321 -1.352 . . . . 0.0 110.06 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -64.06 -50.71 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 C-N-CA 117.926 -1.51 . . . . 0.0 109.954 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -60.24 -44.19 95.46 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 122.104 0.954 . . . . 0.0 109.538 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -116.85 48.54 1.29 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.331 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -61.99 -53.78 40.21 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 106.0 -2.84 . . . . 0.0 106.0 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -177.5 -22.01 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 123.448 0.699 . . . . 0.0 109.259 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.34 32.69 8.08 Favored Glycine 0 N--CA 1.492 2.432 0 O-C-N 121.237 -0.914 . . . . 0.0 111.335 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 94.36 -24.69 0.04 OUTLIER 'General case' 0 N--CA 1.518 2.967 0 C-N-CA 125.021 1.329 . . . . 0.0 110.828 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -54.91 -39.15 68.5 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.754 -1.178 . . . . 0.0 109.026 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.34 -35.42 79.04 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.166 -0.959 . . . . 0.0 111.341 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.49 -59.85 2.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.317 -1.353 . . . . 0.0 112.232 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.47 -34.91 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.533 -1.354 . . . . 0.0 111.767 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -36.76 91.98 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.894 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.34 -34.01 83.13 Favored Glycine 0 N--CA 1.483 1.772 0 O-C-N 121.019 -1.283 . . . . 0.0 112.997 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.1 -35.84 74.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.314 -1.698 . . . . 0.0 111.341 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.4 -41.95 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.877 -0.515 . . . . 0.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.69 -39.71 82.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 120.899 -1.126 . . . . 0.0 109.995 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.12 -39.31 89.64 Favored Glycine 0 N--CA 1.484 1.881 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.298 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -33.97 76.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.356 -1.673 . . . . 0.0 112.564 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.34 -39.27 86.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.942 -1.099 . . . . 0.0 112.343 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.45 -32.82 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.958 -1.089 . . . . 0.0 111.967 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.76 -45.6 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.506 -1.371 . . . . 0.0 109.15 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.74 -37.02 77.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.538 -0.726 . . . . 0.0 112.099 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.71 75.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.745 -1.222 . . . . 0.0 109.471 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.5 -36.66 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.599 -0.688 . . . . 0.0 111.06 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.23 74.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.43 -1.419 . . . . 0.0 110.463 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -31.47 32.57 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.957 -1.089 . . . . 0.0 111.137 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.37 -35.45 62.81 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.519 -1.577 . . . . 0.0 110.149 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.67 -43.36 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.993 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -56.26 -35.56 67.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.062 -1.024 . . . . 0.0 109.951 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.44 -22.35 20.08 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.408 -0.808 . . . . 0.0 112.177 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.64 -34.52 69.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.379 -1.451 . . . . 0.0 108.075 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -61.18 -32.42 72.17 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.234 0.54 . . . . 0.0 111.093 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -61.09 -27.77 68.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.269 -0.895 . . . . 0.0 111.188 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 55.69 -83.12 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.936 -0.477 . . . . 0.0 111.608 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 N--CA 1.494 1.737 0 O-C-N 120.497 -1.377 . . . . 0.0 110.319 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -136.64 138.39 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.31 -1.112 . . . . 0.0 110.995 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -134.21 144.58 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 0.0 109.068 173.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -178.3 -36.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.962 -1.086 . . . . 0.0 110.864 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -61.0 -46.83 89.17 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -58.62 -29.81 66.78 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.32 84.88 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 118.27 -1.372 . . . . 0.0 109.672 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -57.84 -35.66 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.796 -1.19 . . . . 0.0 111.738 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -64.32 -33.24 75.39 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 119.917 -1.739 . . . . 0.0 110.258 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.02 -45.38 79.15 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.422 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.67 89.41 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 118.156 -1.418 . . . . 0.0 108.66 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.52 -47.12 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -56.78 -41.65 78.06 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -124.44 60.05 1.17 Allowed 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.62 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.1 -54.29 25.13 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -101.13 -179.79 4.14 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 121.894 0.854 . . . . 0.0 112.818 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.9 -0.3 21.23 Favored Glycine 0 N--CA 1.493 2.447 0 CA-C-O 118.189 -1.34 . . . . 0.0 112.44 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 107.1 148.24 0.01 OUTLIER 'General case' 0 N--CA 1.535 3.778 0 CA-C-N 118.515 1.158 . . . . 0.0 107.985 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 62.11 -2.08 0.34 Allowed 'General case' 0 N--CA 1.513 2.695 0 O-C-N 120.927 -1.108 . . . . 0.0 113.244 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.74 -33.91 76.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.498 -1.376 . . . . 0.0 111.737 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.19 2.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 117.667 -1.613 . . . . 0.0 112.037 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.84 -35.95 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.396 -1.44 . . . . 0.0 112.015 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.74 90.93 Favored Glycine 0 N--CA 1.489 2.211 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.185 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.79 84.2 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 121.157 -1.202 . . . . 0.0 112.902 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.36 -35.84 73.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.5 -1.588 . . . . 0.0 111.816 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -64.13 -42.43 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.04 -39.38 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 120.891 -1.131 . . . . 0.0 110.387 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.97 -39.87 92.47 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.151 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.26 77.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.422 -1.634 . . . . 0.0 112.566 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.03 -39.42 92.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.738 -1.226 . . . . 0.0 111.92 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -70.59 -33.46 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.954 -1.091 . . . . 0.0 112.451 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.4 -44.86 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.55 -1.344 . . . . 0.0 109.307 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.29 -34.47 75.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.724 -0.61 . . . . 0.0 111.935 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.86 74.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.557 -1.339 . . . . 0.0 109.63 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.65 -36.48 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.498 -0.751 . . . . 0.0 110.849 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.6 74.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.573 -1.329 . . . . 0.0 110.314 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.83 -30.73 29.82 Favored Glycine 0 N--CA 1.492 2.397 0 O-C-N 121.019 -1.051 . . . . 0.0 111.01 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.49 -35.07 62.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.491 -1.593 . . . . 0.0 110.526 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.3 -41.96 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.622 -1.299 . . . . 0.0 109.359 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.73 -31.18 69.39 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.64 -1.287 . . . . 0.0 109.759 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.94 -21.55 21.35 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.388 -0.82 . . . . 0.0 112.414 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.67 -34.55 69.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.319 -1.488 . . . . 0.0 108.315 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.91 -32.4 70.72 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.243 0.545 . . . . 0.0 110.468 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -59.43 -28.96 67.42 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.281 -0.887 . . . . 0.0 112.156 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.88 46.56 3.86 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.555 0.693 . . . . 0.0 109.811 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.675 0 O-C-N 120.956 -1.09 . . . . 0.0 110.025 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -129.2 131.04 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.123 -1.222 . . . . 0.0 108.865 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -125.21 130.19 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.285 -1.509 . . . . 0.0 108.441 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -168.73 -50.78 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 119.95 -1.718 . . . . 0.0 108.865 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.85 -42.62 72.19 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.572 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.39 -42.88 78.66 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 117.735 -1.586 . . . . 0.0 107.656 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.23 98.34 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.315 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.98 -31.69 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.139 -0.976 . . . . 0.0 110.651 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -63.48 -34.32 77.52 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.458 -1.401 . . . . 0.0 110.488 175.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -58.7 -41.99 87.56 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 117.711 -1.596 . . . . 0.0 108.393 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.61 -45.66 93.15 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 117.876 -1.53 . . . . 0.0 108.114 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.45 -48.07 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 C-N-CA 118.439 -1.304 . . . . 0.0 108.112 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.9 -43.1 95.04 Favored 'General case' 0 N--CA 1.505 2.276 0 CA-C-O 122.474 1.13 . . . . 0.0 109.676 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -111.26 43.92 1.4 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.899 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -59.61 -61.12 7.59 Favored Glycine 0 N--CA 1.486 2.015 0 C-N-CA 118.087 -2.006 . . . . 0.0 109.072 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 160.04 76.36 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.849 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.62 113.87 4.62 Favored Glycine 0 N--CA 1.496 2.694 0 O-C-N 119.534 -1.979 . . . . 0.0 109.087 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -177.86 84.76 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.272 -1.134 . . . . 0.0 109.894 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 56.57 -2.94 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.553 0 O-C-N 119.859 -1.776 . . . . 0.0 113.63 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -62.82 -34.72 77.9 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.338 -1.476 . . . . 0.0 111.396 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.05 -59.37 3.08 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 118.102 -1.439 . . . . 0.0 111.693 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.88 -35.41 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.198 -1.564 . . . . 0.0 111.153 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.32 89.09 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.926 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.81 -33.7 86.18 Favored Glycine 0 N--CA 1.484 1.867 0 O-C-N 121.122 -1.223 . . . . 0.0 112.912 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.24 -39.3 82.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.673 -1.487 . . . . 0.0 111.377 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.63 -41.69 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.78 -38.82 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.777 -1.202 . . . . 0.0 110.431 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.01 91.33 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.596 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.528 -1.572 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.39 -38.15 83.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.104 -0.997 . . . . 0.0 111.334 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.53 -36.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.197 -0.939 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.806 -1.184 . . . . 0.0 109.73 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.68 -35.35 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.4 -0.812 . . . . 0.0 112.219 -178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.21 75.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.49 -1.381 . . . . 0.0 109.502 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.95 -36.51 67.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.634 -0.666 . . . . 0.0 111.252 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.0 74.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.478 -1.389 . . . . 0.0 110.5 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -30.77 32.83 Favored Glycine 0 N--CA 1.493 2.433 0 O-C-N 120.965 -1.084 . . . . 0.0 111.874 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.42 -33.2 63.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.327 -1.69 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.44 -42.01 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.809 -1.182 . . . . 0.0 109.73 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.67 -30.99 69.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.671 -1.268 . . . . 0.0 110.205 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -23.12 31.9 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.532 0.733 . . . . 0.0 112.669 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.05 -34.56 68.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.41 -1.431 . . . . 0.0 107.631 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.18 -34.5 72.19 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.358 0.663 . . . . 0.0 109.977 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -61.62 -27.17 68.47 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.731 -1.231 . . . . 0.0 111.928 176.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 54.56 -81.14 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.123 0 CA-C-O 120.731 0.301 . . . . 0.0 111.447 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 120.811 -1.18 . . . . 0.0 110.071 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -115.81 133.47 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.194 -1.18 . . . . 0.0 109.477 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -136.31 152.44 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.326 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -131.77 -125.16 0.19 Allowed 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -49.54 -35.58 20.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.561 -1.337 . . . . 0.0 110.969 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -55.87 -29.02 59.26 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 119.306 -2.121 . . . . 0.0 109.978 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.48 -36.12 66.27 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -54.68 -30.91 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -61.96 -33.87 75.09 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.798 -1.189 . . . . 0.0 110.127 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.33 -46.24 79.98 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.993 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.15 91.71 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 118.057 -1.457 . . . . 0.0 108.375 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.59 -48.66 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 C-N-CA 118.77 -1.172 . . . . 0.0 108.19 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.16 -42.49 86.07 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 122.434 1.112 . . . . 0.0 108.542 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -114.36 57.25 0.7 Allowed 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.925 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.34 -57.33 10.55 Favored Glycine 0 N--CA 1.485 1.954 0 N-CA-C 108.187 -1.965 . . . . 0.0 108.187 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -131.74 -135.72 0.19 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.485 -1.009 . . . . 0.0 110.387 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.99 16.26 7.42 Favored Glycine 0 N--CA 1.502 3.09 0 O-C-N 120.679 -1.263 . . . . 0.0 111.647 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 110.07 -152.77 0.0 OUTLIER 'General case' 0 N--CA 1.525 3.281 0 C-N-CA 124.773 1.229 . . . . 0.0 109.681 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 41.38 -100.5 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.901 -1.124 . . . . 0.0 113.238 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.3 -34.15 76.03 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.679 -1.263 . . . . 0.0 112.345 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.69 2.14 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.658 -1.617 . . . . 0.0 112.421 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -35.4 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.624 -1.297 . . . . 0.0 112.529 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.94 94.03 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.499 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.85 -33.87 80.23 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.068 -1.254 . . . . 0.0 112.874 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.22 -39.87 82.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.42 -1.635 . . . . 0.0 111.505 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.15 -43.05 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.89 -40.07 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.673 -1.267 . . . . 0.0 110.126 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.06 -39.6 89.98 Favored Glycine 0 N--CA 1.484 1.84 0 C-N-CA 120.31 -0.947 . . . . 0.0 110.964 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.07 77.35 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.644 -1.503 . . . . 0.0 112.048 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.26 -38.73 90.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.726 -1.234 . . . . 0.0 111.632 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.26 -37.93 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.57 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 117.365 -1.734 . . . . 0.0 109.651 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.04 -34.95 75.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.987 -1.071 . . . . 0.0 111.391 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.21 79.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.724 -1.235 . . . . 0.0 109.328 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.71 -36.99 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.546 -0.721 . . . . 0.0 110.748 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.67 74.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.759 -1.213 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.04 -31.86 33.81 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 121.042 -1.036 . . . . 0.0 111.017 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.16 -34.59 60.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.707 -1.467 . . . . 0.0 110.062 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.15 -43.3 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 118.911 -1.116 . . . . 0.0 109.68 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.75 -31.26 69.48 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.695 -1.253 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.04 -21.04 19.31 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.37 -0.831 . . . . 0.0 112.6 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.32 -34.54 68.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.522 -1.362 . . . . 0.0 108.063 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.28 -32.6 70.17 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.922 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -59.71 -28.76 67.6 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.939 0.895 . . . . 0.0 112.277 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 57.67 -80.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 122.035 -0.416 . . . . 0.0 111.268 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.601 0 O-C-N 120.556 -1.34 . . . . 0.0 110.404 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -104.03 37.04 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.221 -1.164 . . . . 0.0 109.399 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -98.25 16.94 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.59 -0.694 . . . . 0.0 109.827 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 178.95 -24.47 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.455 -0.778 . . . . 0.0 111.356 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.1 -47.13 87.19 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.37 -29.67 67.86 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 124.715 1.206 . . . . 0.0 113.721 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.55 81.61 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.295 -1.362 . . . . 0.0 109.169 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.98 -36.03 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.942 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.41 -34.8 79.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.083 -1.636 . . . . 0.0 109.61 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.26 -47.09 82.3 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.653 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.7 -46.39 89.86 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 117.687 -1.605 . . . . 0.0 108.341 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.76 -48.94 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 C-N-CA 118.277 -1.369 . . . . 0.0 108.762 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.55 -42.29 92.04 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-O 122.628 1.204 . . . . 0.0 109.206 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -111.43 45.46 1.2 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.175 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -61.64 -63.63 4.66 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 118.594 -1.765 . . . . 0.0 109.801 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 160.59 73.24 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.22 118.95 5.71 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . 174.86 89.92 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.778 -0.836 . . . . 0.0 110.488 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 60.08 -4.46 0.1 Allowed 'General case' 0 N--CA 1.511 2.623 0 O-C-N 119.622 -1.924 . . . . 0.0 112.549 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -62.45 -35.44 79.3 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 120.347 -1.471 . . . . 0.0 112.407 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.21 -60.2 2.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 117.773 -1.571 . . . . 0.0 112.187 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -36.08 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.234 -1.541 . . . . 0.0 111.962 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.41 -35.46 91.05 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.72 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.56 -33.67 85.72 Favored Glycine 0 N--CA 1.482 1.711 0 O-C-N 121.221 -1.164 . . . . 0.0 112.728 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.45 -39.08 81.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.687 -1.478 . . . . 0.0 111.759 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.68 -42.42 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.21 -38.44 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.688 -1.257 . . . . 0.0 110.741 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.42 -38.74 88.51 Favored Glycine 0 N--CA 1.486 1.969 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.079 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.71 76.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.738 -1.448 . . . . 0.0 112.066 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.04 -37.45 82.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.993 -1.067 . . . . 0.0 111.788 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.13 -36.99 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.32 -37.98 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.998 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.46 -36.77 79.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.033 . . . . 0.0 111.972 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.51 77.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.72 -1.238 . . . . 0.0 110.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.64 -36.37 65.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 110.368 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.42 73.91 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.649 -1.282 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.77 -30.55 28.88 Favored Glycine 0 N--CA 1.492 2.398 0 O-C-N 120.76 -1.213 . . . . 0.0 111.133 -176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.63 -34.84 59.93 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.488 . . . . 0.0 109.981 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.85 -42.56 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 120.652 -1.28 . . . . 0.0 109.887 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.04 68.93 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.44 -1.413 . . . . 0.0 110.193 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.12 -22.41 16.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.173 -0.954 . . . . 0.0 112.25 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.97 -34.81 68.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.369 -1.457 . . . . 0.0 108.906 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.61 -33.76 70.38 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.513 0.673 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.13 -26.32 67.6 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.342 -0.849 . . . . 0.0 111.666 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.3 -37.31 69.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.499 -0.751 . . . . 0.0 111.233 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 O-C-N 120.891 -1.131 . . . . 0.0 110.443 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -122.92 129.61 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -1.135 . . . . 0.0 110.538 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -137.86 147.66 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.035 -1.041 . . . . 0.0 109.997 175.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -176.31 -40.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.666 -1.271 . . . . 0.0 110.873 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.97 -47.18 87.64 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 117.126 -1.83 . . . . 0.0 106.28 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -62.48 -26.27 68.44 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.998 0.919 . . . . 0.0 113.35 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.4 85.13 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 118.147 -1.421 . . . . 0.0 109.241 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -58.05 -35.47 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.934 -1.104 . . . . 0.0 110.586 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -66.13 -34.98 79.29 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.199 -1.563 . . . . 0.0 110.002 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.88 -46.46 81.84 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 118.961 -1.095 . . . . 0.0 109.14 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.73 87.33 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.686 -1.606 . . . . 0.0 108.934 -178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -61.87 -49.48 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 C-N-CA 118.325 -1.35 . . . . 0.0 108.802 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.81 -42.53 93.66 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 122.448 1.118 . . . . 0.0 108.778 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -106.12 49.55 0.8 Allowed 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.271 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.31 -52.44 51.62 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 107.579 -2.208 . . . . 0.0 107.579 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -60.35 131.44 50.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.727 -0.867 . . . . 0.0 110.634 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.4 -60.6 0.6 Allowed Glycine 0 N--CA 1.488 2.141 0 C-N-CA 119.961 -1.114 . . . . 0.0 112.203 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 175.6 92.78 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.725 -0.868 . . . . 0.0 109.529 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 61.42 -1.99 0.27 Allowed 'General case' 0 N--CA 1.512 2.668 0 CA-C-N 120.902 1.683 . . . . 0.0 112.664 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -63.08 -34.45 77.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.27 -1.519 . . . . 0.0 112.325 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 -60.64 2.15 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 117.774 -1.57 . . . . 0.0 112.199 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.89 -35.66 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.457 -1.402 . . . . 0.0 111.99 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.19 -35.68 91.23 Favored Glycine 0 N--CA 1.49 2.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.934 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -33.72 83.1 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 121.147 -1.208 . . . . 0.0 112.609 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.46 -35.43 73.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.586 -1.538 . . . . 0.0 111.73 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.68 -42.72 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.1 -39.22 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.867 -1.146 . . . . 0.0 110.565 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.24 -38.83 88.48 Favored Glycine 0 N--CA 1.485 1.957 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.786 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.68 76.44 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.697 -1.473 . . . . 0.0 111.775 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.01 -36.85 84.95 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.679 -1.263 . . . . 0.0 111.606 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.87 -37.76 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.26 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 C-N-CA 117.74 -1.584 . . . . 0.0 109.796 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.66 -35.3 77.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 111.579 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.81 77.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.679 -1.263 . . . . 0.0 109.747 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.86 -36.89 69.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.557 -0.714 . . . . 0.0 110.646 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.79 75.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.544 -1.348 . . . . 0.0 109.98 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.89 -30.58 29.88 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 120.877 -1.139 . . . . 0.0 111.333 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.06 -32.85 62.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.588 -1.536 . . . . 0.0 109.589 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -52.86 -42.34 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 C-N-CA 119.08 -1.048 . . . . 0.0 109.696 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.59 -30.45 68.68 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.601 -1.312 . . . . 0.0 110.34 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.47 -21.65 17.31 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.411 -0.806 . . . . 0.0 112.185 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.3 -34.9 69.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.404 -1.435 . . . . 0.0 108.289 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -57.9 -33.78 69.12 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.624 0.725 . . . . 0.0 110.595 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -58.28 -29.91 66.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.351 -0.843 . . . . 0.0 112.614 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 58.45 -78.92 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.963 -0.461 . . . . 0.0 111.505 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 120.543 -1.348 . . . . 0.0 110.313 -179.855 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.278 0.561 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -60.4 2.32 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 117.813 -1.555 . . . . 0.0 112.127 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.52 -35.51 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.426 -1.421 . . . . 0.0 111.805 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.96 91.45 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.991 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.6 83.1 Favored Glycine 0 N--CA 1.484 1.886 0 O-C-N 121.157 -1.201 . . . . 0.0 112.94 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.57 -35.82 73.28 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.502 -1.587 . . . . 0.0 111.885 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.84 -42.53 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.05 -39.37 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 120.925 -1.11 . . . . 0.0 110.673 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.79 -39.3 91.21 Favored Glycine 0 N--CA 1.487 2.055 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.384 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.6 76.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.627 -1.514 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.84 -36.39 83.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.912 -1.117 . . . . 0.0 111.597 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.39 -36.73 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.971 -1.08 . . . . 0.0 113.358 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.28 -37.52 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.632 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.59 -35.42 77.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.817 -1.177 . . . . 0.0 111.865 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.537 -1.352 . . . . 0.0 109.81 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.54 -37.12 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.476 -0.765 . . . . 0.0 111.072 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -34.52 74.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.633 -1.292 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.86 -31.14 31.02 Favored Glycine 0 N--CA 1.489 2.188 0 O-C-N 121.013 -1.054 . . . . 0.0 111.23 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.14 -35.14 61.9 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.598 -1.531 . . . . 0.0 110.177 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.01 -42.64 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 120.8 -1.188 . . . . 0.0 109.212 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.15 -31.53 70.18 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.548 -1.345 . . . . 0.0 110.166 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.1 -21.47 22.43 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.508 -0.745 . . . . 0.0 112.033 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.48 -34.85 69.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.416 -1.428 . . . . 0.0 108.334 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.05 -32.0 70.5 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.335 0.588 . . . . 0.0 110.657 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.255 -0.903 . . . . 0.0 111.823 175.566 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.591 0.71 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.92 -58.88 3.52 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.237 -1.385 . . . . 0.0 111.722 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.13 -35.82 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.252 -1.53 . . . . 0.0 111.065 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.14 -35.9 89.03 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.466 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.68 85.2 Favored Glycine 0 N--CA 1.484 1.9 0 O-C-N 121.179 -1.189 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.16 -39.64 82.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.516 -1.579 . . . . 0.0 110.863 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.65 -42.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -70.93 -35.36 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.73 -1.231 . . . . 0.0 109.979 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.19 92.31 Favored Glycine 0 N--CA 1.484 1.853 0 C-N-CA 120.021 -1.085 . . . . 0.0 111.066 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.07 77.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.62 -1.518 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.45 -38.69 84.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.915 -1.115 . . . . 0.0 111.129 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.44 -37.16 79.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.246 -0.909 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.42 -45.06 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 118.525 -1.27 . . . . 0.0 109.703 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.48 -37.36 78.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.469 -0.769 . . . . 0.0 111.484 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.52 76.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.418 -1.426 . . . . 0.0 109.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.51 -36.88 67.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.502 -0.749 . . . . 0.0 111.007 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.09 75.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.538 -1.351 . . . . 0.0 110.604 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -31.62 37.7 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 121.017 -1.052 . . . . 0.0 111.548 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.29 63.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.39 -1.653 . . . . 0.0 110.128 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.6 -42.84 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 120.72 -1.238 . . . . 0.0 109.613 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.63 -31.48 69.54 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.518 -1.364 . . . . 0.0 109.725 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.75 -21.38 27.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.434 -0.791 . . . . 0.0 112.515 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -34.52 70.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.141 -1.6 . . . . 0.0 107.495 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.47 -34.47 70.91 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.156 0 O-C-N 120.647 -1.283 . . . . 0.0 112.158 176.062 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 121.256 0.551 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -60.88 2.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.37 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.83 -36.27 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.638 -1.289 . . . . 0.0 112.593 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -36.94 92.73 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.615 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.83 78.56 Favored Glycine 0 N--CA 1.482 1.72 0 O-C-N 121.342 -1.093 . . . . 0.0 112.727 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.35 -35.6 73.67 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.36 -1.67 . . . . 0.0 111.689 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.43 -43.51 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.07 -39.87 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.953 -1.092 . . . . 0.0 110.433 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.35 88.88 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.658 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.84 76.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.553 -1.557 . . . . 0.0 111.731 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -39.05 90.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.575 -1.328 . . . . 0.0 111.465 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.37 -37.81 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.2 -40.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 117.646 -1.622 . . . . 0.0 109.555 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.55 -37.02 77.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.114 -0.991 . . . . 0.0 111.556 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.22 78.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.833 -1.167 . . . . 0.0 109.811 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.28 -37.08 67.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.565 -0.71 . . . . 0.0 110.279 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.63 74.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.603 -1.31 . . . . 0.0 109.78 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.55 33.57 Favored Glycine 0 N--CA 1.493 2.488 0 O-C-N 120.836 -1.165 . . . . 0.0 110.866 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.32 -33.53 63.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.643 -1.504 . . . . 0.0 110.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.65 -43.11 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.641 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.18 69.07 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.256 -1.528 . . . . 0.0 110.486 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.17 -21.44 22.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.289 -0.882 . . . . 0.0 112.445 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.45 -35.23 71.82 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.092 -1.63 . . . . 0.0 108.775 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.51 -33.32 71.21 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 121.563 0.697 . . . . 0.0 109.297 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.801 0 O-C-N 120.966 -1.084 . . . . 0.0 111.841 175.327 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.168 0.509 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -60.23 2.42 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.243 -1.783 . . . . 0.0 111.912 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.78 -36.14 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.609 -1.307 . . . . 0.0 112.397 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.57 -37.62 93.66 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.391 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.83 -33.75 79.61 Favored Glycine 0 N--CA 1.482 1.746 0 O-C-N 121.284 -1.127 . . . . 0.0 112.835 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.08 -39.38 82.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.454 -1.615 . . . . 0.0 111.212 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.47 -43.39 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.08 -39.78 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.672 -1.267 . . . . 0.0 110.424 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.8 -39.37 87.35 Favored Glycine 0 N--CA 1.485 1.919 0 C-N-CA 120.115 -1.04 . . . . 0.0 110.591 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.69 76.37 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 120.684 -1.48 . . . . 0.0 111.721 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.95 -39.17 91.19 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.634 -1.291 . . . . 0.0 111.353 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.99 -37.5 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -67.68 -39.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.591 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.18 -35.26 76.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.237 -0.915 . . . . 0.0 111.788 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.61 80.57 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.697 -1.252 . . . . 0.0 109.747 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.92 -37.06 70.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.634 -0.666 . . . . 0.0 110.572 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.28 74.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 109.561 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.03 -31.51 33.02 Favored Glycine 0 N--CA 1.495 2.567 0 O-C-N 121.035 -1.041 . . . . 0.0 110.66 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.77 -34.38 58.87 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.931 -1.335 . . . . 0.0 109.387 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.03 -43.48 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.845 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.5 -31.38 69.31 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.42 -1.425 . . . . 0.0 110.613 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.34 -21.02 21.77 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -0.874 . . . . 0.0 112.912 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -35.11 71.05 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.018 -1.676 . . . . 0.0 108.745 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.27 -33.22 70.79 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 O-C-N 120.873 -1.142 . . . . 0.0 112.147 175.551 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.68 2.13 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 117.501 -1.68 . . . . 0.0 112.835 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.73 -35.19 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.485 -1.384 . . . . 0.0 112.553 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.32 93.0 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.946 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.94 83.62 Favored Glycine 0 N--CA 1.481 1.67 0 O-C-N 121.117 -1.225 . . . . 0.0 112.696 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.28 -39.91 82.0 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.569 -1.547 . . . . 0.0 111.54 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.98 -42.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.6 -40.06 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 120.782 -1.199 . . . . 0.0 110.081 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.71 -39.5 91.33 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.349 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.88 -33.88 76.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.537 -1.566 . . . . 0.0 111.987 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.38 -38.64 87.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.89 -1.131 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.31 -37.27 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.46 -38.42 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.07 -36.91 78.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.819 -1.176 . . . . 0.0 111.195 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.2 -35.21 78.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.472 -1.393 . . . . 0.0 109.86 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.4 -37.26 68.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.513 -0.742 . . . . 0.0 110.584 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.94 -34.76 75.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.61 -1.306 . . . . 0.0 110.219 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.71 33.85 Favored Glycine 0 N--CA 1.492 2.396 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.58 -34.66 62.3 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.703 -1.469 . . . . 0.0 110.046 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.19 -43.39 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 109.375 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.93 -31.16 69.58 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.583 -1.323 . . . . 0.0 110.161 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -21.25 20.91 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.412 -0.805 . . . . 0.0 112.219 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.86 -34.67 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.438 -1.413 . . . . 0.0 108.071 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.64 -32.41 71.57 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.089 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.132 -0.98 . . . . 0.0 111.613 176.04 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.457 0.646 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -59.98 2.59 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 118.096 -1.441 . . . . 0.0 112.275 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.25 -35.44 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.298 -1.501 . . . . 0.0 111.877 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.15 90.75 Favored Glycine 0 N--CA 1.488 2.137 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.885 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.9 86.12 Favored Glycine 0 N--CA 1.484 1.89 0 O-C-N 121.132 -1.216 . . . . 0.0 112.919 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -39.53 81.26 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.473 -1.604 . . . . 0.0 111.248 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.7 -42.36 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.97 -39.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.84 -1.163 . . . . 0.0 110.212 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.2 90.44 Favored Glycine 0 N--CA 1.486 1.987 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.387 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.42 -33.72 76.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.339 -1.683 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.88 -39.27 88.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.079 . . . . 0.0 112.495 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.79 -32.63 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 112.179 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.43 -45.33 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.458 -1.401 . . . . 0.0 109.283 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.45 -35.11 76.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.697 -0.627 . . . . 0.0 111.954 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.88 77.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.521 -1.362 . . . . 0.0 109.443 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.98 -36.94 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.978 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -34.9 75.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.624 -1.297 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -31.17 33.73 Favored Glycine 0 N--CA 1.49 2.289 0 O-C-N 121.143 -0.973 . . . . 0.0 111.334 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.28 63.93 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.548 -1.56 . . . . 0.0 110.055 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.32 -42.31 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 120.79 -1.194 . . . . 0.0 109.279 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.66 -30.72 68.94 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.596 -1.315 . . . . 0.0 109.91 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.95 -21.21 19.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.328 -0.858 . . . . 0.0 112.173 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.87 -34.42 67.82 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.45 -1.406 . . . . 0.0 108.107 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.67 -32.03 71.24 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.107 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.93 0 O-C-N 121.081 -1.012 . . . . 0.0 111.62 176.174 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.43 0.633 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -59.46 2.98 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.051 -1.46 . . . . 0.0 112.295 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.93 -35.35 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.355 -1.466 . . . . 0.0 111.96 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.37 -36.33 90.77 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.896 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.03 -33.96 86.04 Favored Glycine 0 N--CA 1.486 1.997 0 O-C-N 121.092 -1.24 . . . . 0.0 113.114 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.15 -39.88 82.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.571 -1.547 . . . . 0.0 111.345 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.03 -42.64 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.68 -39.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.683 -1.26 . . . . 0.0 110.375 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.88 -39.62 91.9 Favored Glycine 0 N--CA 1.486 1.997 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.221 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.19 77.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.566 -1.55 . . . . 0.0 112.289 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.77 -37.03 82.79 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.043 . . . . 0.0 110.9 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.3 -37.27 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.091 -1.006 . . . . 0.0 112.165 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.42 -45.41 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.879 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.4 -35.61 77.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.498 -0.751 . . . . 0.0 112.252 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.05 77.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.372 -1.455 . . . . 0.0 109.357 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.84 -37.19 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.552 -0.717 . . . . 0.0 111.181 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.441 -1.412 . . . . 0.0 110.383 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.53 35.53 Favored Glycine 0 N--CA 1.491 2.315 0 O-C-N 121.11 -0.994 . . . . 0.0 111.26 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.74 -33.48 64.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.495 -1.591 . . . . 0.0 110.229 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.17 -42.43 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 120.687 -1.258 . . . . 0.0 109.198 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.02 -31.02 69.56 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.56 -1.338 . . . . 0.0 110.076 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.7 -22.7 24.73 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.846 0.858 . . . . 0.0 112.527 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.45 -34.28 68.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.529 -1.357 . . . . 0.0 108.037 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.48 -32.07 71.06 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.048 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.098 0 O-C-N 121.279 -0.888 . . . . 0.0 111.572 175.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.251 0.548 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.28 2.44 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.093 -177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.31 -33.19 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.444 -1.41 . . . . 0.0 111.728 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -36.97 93.51 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.984 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -34.11 85.78 Favored Glycine 0 N--CA 1.481 1.687 0 O-C-N 121.139 -1.212 . . . . 0.0 112.983 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -71.06 -36.65 72.36 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.41 -1.641 . . . . 0.0 111.928 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.21 -42.19 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.89 -37.73 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.185 -0.947 . . . . 0.0 109.98 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.39 -38.16 77.9 Favored Glycine 0 N--CA 1.486 1.979 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.121 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.72 76.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.428 -1.631 . . . . 0.0 112.918 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.03 -37.09 85.8 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.779 -1.201 . . . . 0.0 112.827 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.3 -33.28 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.243 -1.536 . . . . 0.0 111.695 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.62 -46.23 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.387 -1.446 . . . . 0.0 109.654 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.78 -37.49 79.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.642 -0.661 . . . . 0.0 112.166 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.36 -34.81 77.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.519 -1.363 . . . . 0.0 109.666 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.77 -37.09 69.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.555 -0.716 . . . . 0.0 110.704 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.94 75.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.457 -1.402 . . . . 0.0 110.139 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.85 -31.27 31.17 Favored Glycine 0 N--CA 1.491 2.362 0 O-C-N 120.968 -1.082 . . . . 0.0 110.735 -176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.93 -35.01 61.23 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.81 -1.406 . . . . 0.0 109.964 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.38 -42.89 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 120.847 -1.158 . . . . 0.0 109.695 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.85 -31.2 69.54 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.459 -1.4 . . . . 0.0 110.381 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.63 -22.26 21.81 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 112.626 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.36 -34.54 68.91 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.4 -1.438 . . . . 0.0 108.29 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.45 -34.03 70.38 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.296 0.57 . . . . 0.0 111.399 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.957 0 C-N-CA 123.876 0.87 . . . . 0.0 111.707 176.531 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.285 0.564 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 117.476 -1.69 . . . . 0.0 111.44 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.98 -36.25 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.498 -1.376 . . . . 0.0 112.182 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.69 -37.05 92.9 Favored Glycine 0 N--CA 1.49 2.292 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.919 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.87 83.35 Favored Glycine 0 N--CA 1.483 1.778 0 O-C-N 121.171 -1.194 . . . . 0.0 112.692 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -40.11 81.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.53 -1.57 . . . . 0.0 111.442 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.26 -42.86 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.56 -39.69 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 120.759 -1.213 . . . . 0.0 110.106 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -39.78 91.41 Favored Glycine 0 N--CA 1.484 1.85 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.085 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.92 76.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.522 -1.576 . . . . 0.0 111.88 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -38.94 90.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.659 -1.275 . . . . 0.0 111.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.78 -37.87 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.38 -40.02 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 117.688 -1.605 . . . . 0.0 109.443 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.986 -1.071 . . . . 0.0 111.502 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.99 78.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.583 -1.323 . . . . 0.0 109.418 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -60.2 -36.72 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.612 -0.68 . . . . 0.0 110.751 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.48 74.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.639 -1.288 . . . . 0.0 110.083 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.82 -31.01 30.45 Favored Glycine 0 N--CA 1.495 2.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.991 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.33 -34.96 62.13 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.456 -1.614 . . . . 0.0 110.748 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.41 -39.26 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 C-N-CA 118.172 -1.411 . . . . 0.0 109.057 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.65 -30.94 69.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.543 -1.348 . . . . 0.0 109.691 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.72 -21.54 19.17 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.363 -0.836 . . . . 0.0 112.321 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.02 -34.63 68.37 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.46 -1.4 . . . . 0.0 108.214 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.56 -32.61 70.51 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.334 0.588 . . . . 0.0 110.891 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.319 -0.863 . . . . 0.0 112.23 175.717 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.71 0.767 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.49 -59.85 2.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.317 -1.353 . . . . 0.0 112.232 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.47 -34.91 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.533 -1.354 . . . . 0.0 111.767 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -36.76 91.98 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.894 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.34 -34.01 83.13 Favored Glycine 0 N--CA 1.483 1.772 0 O-C-N 121.019 -1.283 . . . . 0.0 112.997 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.1 -35.84 74.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.314 -1.698 . . . . 0.0 111.341 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.4 -41.95 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.877 -0.515 . . . . 0.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.69 -39.71 82.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 120.899 -1.126 . . . . 0.0 109.995 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.12 -39.31 89.64 Favored Glycine 0 N--CA 1.484 1.881 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.298 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -33.97 76.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.356 -1.673 . . . . 0.0 112.564 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.34 -39.27 86.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.942 -1.099 . . . . 0.0 112.343 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.45 -32.82 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.958 -1.089 . . . . 0.0 111.967 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.76 -45.6 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.506 -1.371 . . . . 0.0 109.15 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.74 -37.02 77.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.538 -0.726 . . . . 0.0 112.099 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.71 75.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.745 -1.222 . . . . 0.0 109.471 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.5 -36.66 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.599 -0.688 . . . . 0.0 111.06 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.23 74.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.43 -1.419 . . . . 0.0 110.463 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -31.47 32.57 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.957 -1.089 . . . . 0.0 111.137 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.37 -35.45 62.81 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.519 -1.577 . . . . 0.0 110.149 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.67 -43.36 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.993 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -56.26 -35.56 67.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.062 -1.024 . . . . 0.0 109.951 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.44 -22.35 20.08 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.408 -0.808 . . . . 0.0 112.177 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.64 -34.52 69.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.379 -1.451 . . . . 0.0 108.075 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -61.18 -32.42 72.17 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.234 0.54 . . . . 0.0 111.093 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.269 -0.895 . . . . 0.0 111.188 176.235 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.174 0.511 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.19 2.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 117.667 -1.613 . . . . 0.0 112.037 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.84 -35.95 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.396 -1.44 . . . . 0.0 112.015 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.74 90.93 Favored Glycine 0 N--CA 1.489 2.211 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.185 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.79 84.2 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 121.157 -1.202 . . . . 0.0 112.902 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.36 -35.84 73.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.5 -1.588 . . . . 0.0 111.816 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -64.13 -42.43 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.04 -39.38 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 120.891 -1.131 . . . . 0.0 110.387 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.97 -39.87 92.47 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.151 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.26 77.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.422 -1.634 . . . . 0.0 112.566 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.03 -39.42 92.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.738 -1.226 . . . . 0.0 111.92 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -70.59 -33.46 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.954 -1.091 . . . . 0.0 112.451 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.4 -44.86 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.55 -1.344 . . . . 0.0 109.307 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.29 -34.47 75.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.724 -0.61 . . . . 0.0 111.935 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.86 74.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.557 -1.339 . . . . 0.0 109.63 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.65 -36.48 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.498 -0.751 . . . . 0.0 110.849 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.6 74.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.573 -1.329 . . . . 0.0 110.314 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.83 -30.73 29.82 Favored Glycine 0 N--CA 1.492 2.397 0 O-C-N 121.019 -1.051 . . . . 0.0 111.01 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.49 -35.07 62.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.491 -1.593 . . . . 0.0 110.526 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.3 -41.96 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.622 -1.299 . . . . 0.0 109.359 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.73 -31.18 69.39 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.64 -1.287 . . . . 0.0 109.759 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.94 -21.55 21.35 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.388 -0.82 . . . . 0.0 112.414 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.67 -34.55 69.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.319 -1.488 . . . . 0.0 108.315 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.91 -32.4 70.72 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.243 0.545 . . . . 0.0 110.468 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.925 0 O-C-N 121.281 -0.887 . . . . 0.0 112.156 175.448 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.56 0.695 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.05 -59.37 3.08 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 118.102 -1.439 . . . . 0.0 111.693 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.88 -35.41 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.198 -1.564 . . . . 0.0 111.153 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.32 89.09 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.926 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.81 -33.7 86.18 Favored Glycine 0 N--CA 1.484 1.867 0 O-C-N 121.122 -1.223 . . . . 0.0 112.912 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.24 -39.3 82.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.673 -1.487 . . . . 0.0 111.377 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.63 -41.69 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.78 -38.82 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.777 -1.202 . . . . 0.0 110.431 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.01 91.33 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.596 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.528 -1.572 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.39 -38.15 83.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.104 -0.997 . . . . 0.0 111.334 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.53 -36.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.197 -0.939 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.806 -1.184 . . . . 0.0 109.73 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.68 -35.35 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.4 -0.812 . . . . 0.0 112.219 -178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.21 75.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.49 -1.381 . . . . 0.0 109.502 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.95 -36.51 67.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.634 -0.666 . . . . 0.0 111.252 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.0 74.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.478 -1.389 . . . . 0.0 110.5 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -30.77 32.83 Favored Glycine 0 N--CA 1.493 2.433 0 O-C-N 120.965 -1.084 . . . . 0.0 111.874 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.42 -33.2 63.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.327 -1.69 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.44 -42.01 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.809 -1.182 . . . . 0.0 109.73 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.67 -30.99 69.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.671 -1.268 . . . . 0.0 110.205 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -23.12 31.9 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.532 0.733 . . . . 0.0 112.669 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.05 -34.56 68.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.41 -1.431 . . . . 0.0 107.631 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.18 -34.5 72.19 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.358 0.663 . . . . 0.0 109.977 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.052 0 O-C-N 120.731 -1.231 . . . . 0.0 111.928 176.446 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.228 0.537 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.69 2.14 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.658 -1.617 . . . . 0.0 112.421 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -35.4 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.624 -1.297 . . . . 0.0 112.529 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.94 94.03 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.499 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.85 -33.87 80.23 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.068 -1.254 . . . . 0.0 112.874 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.22 -39.87 82.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.42 -1.635 . . . . 0.0 111.505 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.15 -43.05 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.89 -40.07 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.673 -1.267 . . . . 0.0 110.126 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.06 -39.6 89.98 Favored Glycine 0 N--CA 1.484 1.84 0 C-N-CA 120.31 -0.947 . . . . 0.0 110.964 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.07 77.35 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.644 -1.503 . . . . 0.0 112.048 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.26 -38.73 90.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.726 -1.234 . . . . 0.0 111.632 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.26 -37.93 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.57 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 117.365 -1.734 . . . . 0.0 109.651 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.04 -34.95 75.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.987 -1.071 . . . . 0.0 111.391 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.21 79.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.724 -1.235 . . . . 0.0 109.328 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.71 -36.99 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.546 -0.721 . . . . 0.0 110.748 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.67 74.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.759 -1.213 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.04 -31.86 33.81 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 121.042 -1.036 . . . . 0.0 111.017 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.16 -34.59 60.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.707 -1.467 . . . . 0.0 110.062 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.15 -43.3 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 118.911 -1.116 . . . . 0.0 109.68 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.75 -31.26 69.48 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.695 -1.253 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.04 -21.04 19.31 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.37 -0.831 . . . . 0.0 112.6 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.32 -34.54 68.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.522 -1.362 . . . . 0.0 108.063 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.28 -32.6 70.17 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.922 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 C-N-CA 123.939 0.895 . . . . 0.0 112.277 175.408 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 121.368 0.604 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.21 -60.2 2.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 117.773 -1.571 . . . . 0.0 112.187 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -36.08 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.234 -1.541 . . . . 0.0 111.962 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.41 -35.46 91.05 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.72 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.56 -33.67 85.72 Favored Glycine 0 N--CA 1.482 1.711 0 O-C-N 121.221 -1.164 . . . . 0.0 112.728 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.45 -39.08 81.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.687 -1.478 . . . . 0.0 111.759 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.68 -42.42 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.21 -38.44 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.688 -1.257 . . . . 0.0 110.741 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.42 -38.74 88.51 Favored Glycine 0 N--CA 1.486 1.969 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.079 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.71 76.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.738 -1.448 . . . . 0.0 112.066 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.04 -37.45 82.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.993 -1.067 . . . . 0.0 111.788 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.13 -36.99 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.32 -37.98 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.998 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.46 -36.77 79.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.033 . . . . 0.0 111.972 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.51 77.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.72 -1.238 . . . . 0.0 110.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.64 -36.37 65.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 110.368 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.42 73.91 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.649 -1.282 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.77 -30.55 28.88 Favored Glycine 0 N--CA 1.492 2.398 0 O-C-N 120.76 -1.213 . . . . 0.0 111.133 -176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.63 -34.84 59.93 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.488 . . . . 0.0 109.981 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.85 -42.56 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 120.652 -1.28 . . . . 0.0 109.887 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.04 68.93 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.44 -1.413 . . . . 0.0 110.193 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.12 -22.41 16.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.173 -0.954 . . . . 0.0 112.25 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.97 -34.81 68.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.369 -1.457 . . . . 0.0 108.906 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.61 -33.76 70.38 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.513 0.673 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.342 -0.849 . . . . 0.0 111.666 176.825 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.322 0.582 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 -60.64 2.15 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 117.774 -1.57 . . . . 0.0 112.199 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.89 -35.66 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.457 -1.402 . . . . 0.0 111.99 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.19 -35.68 91.23 Favored Glycine 0 N--CA 1.49 2.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.934 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -33.72 83.1 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 121.147 -1.208 . . . . 0.0 112.609 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.46 -35.43 73.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.586 -1.538 . . . . 0.0 111.73 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.68 -42.72 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.1 -39.22 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.867 -1.146 . . . . 0.0 110.565 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.24 -38.83 88.48 Favored Glycine 0 N--CA 1.485 1.957 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.786 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.68 76.44 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.697 -1.473 . . . . 0.0 111.775 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.01 -36.85 84.95 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.679 -1.263 . . . . 0.0 111.606 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.87 -37.76 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.26 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 C-N-CA 117.74 -1.584 . . . . 0.0 109.796 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.66 -35.3 77.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 111.579 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.81 77.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.679 -1.263 . . . . 0.0 109.747 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.86 -36.89 69.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.557 -0.714 . . . . 0.0 110.646 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.79 75.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.544 -1.348 . . . . 0.0 109.98 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.89 -30.58 29.88 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 120.877 -1.139 . . . . 0.0 111.333 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.06 -32.85 62.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.588 -1.536 . . . . 0.0 109.589 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -52.86 -42.34 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 C-N-CA 119.08 -1.048 . . . . 0.0 109.696 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.59 -30.45 68.68 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.601 -1.312 . . . . 0.0 110.34 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.47 -21.65 17.31 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.411 -0.806 . . . . 0.0 112.185 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.3 -34.9 69.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.404 -1.435 . . . . 0.0 108.289 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -57.9 -33.78 69.12 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.624 0.725 . . . . 0.0 110.595 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.971 0 O-C-N 121.351 -0.843 . . . . 0.0 112.614 176.625 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -118.57 138.69 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.228 -1.16 . . . . 0.0 109.282 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -113.66 28.56 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.149 -0.969 . . . . 0.0 110.789 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -165.88 -45.18 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.461 -1.4 . . . . 0.0 111.414 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.21 -46.95 88.01 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 117.153 -1.819 . . . . 0.0 106.665 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -63.06 -26.03 68.65 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.874 0.869 . . . . 0.0 112.663 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.56 84.14 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.239 -1.385 . . . . 0.0 108.82 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -58.59 -35.57 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.001 -1.062 . . . . 0.0 110.914 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -66.78 -34.94 78.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.059 -1.651 . . . . 0.0 109.772 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.98 -46.66 82.05 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.672 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.19 90.98 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 117.867 -1.533 . . . . 0.0 108.704 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.39 -48.84 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 C-N-CA 118.532 -1.267 . . . . 0.0 108.331 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.74 -42.19 88.2 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 122.607 1.194 . . . . 0.0 108.634 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -107.79 46.88 0.92 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.797 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.08 -58.46 14.44 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.072 -2.011 . . . . 0.0 108.072 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 154.6 81.03 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.021 0 C-N-CA 123.671 0.788 . . . . 0.0 112.496 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.85 113.88 4.71 Favored Glycine 0 N--CA 1.498 2.784 0 O-C-N 119.472 -2.017 . . . . 0.0 108.22 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -178.03 85.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.271 -1.135 . . . . 0.0 109.644 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 58.22 -1.52 0.09 Allowed 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.006 -1.684 . . . . 0.0 112.794 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -63.35 -34.15 77.07 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.484 -1.385 . . . . 0.0 111.81 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -60.4 2.32 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 117.813 -1.555 . . . . 0.0 112.127 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.52 -35.51 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.426 -1.421 . . . . 0.0 111.805 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.96 91.45 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.991 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.6 83.1 Favored Glycine 0 N--CA 1.484 1.886 0 O-C-N 121.157 -1.201 . . . . 0.0 112.94 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.57 -35.82 73.28 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.502 -1.587 . . . . 0.0 111.885 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.84 -42.53 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.05 -39.37 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 120.925 -1.11 . . . . 0.0 110.673 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.79 -39.3 91.21 Favored Glycine 0 N--CA 1.487 2.055 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.384 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.6 76.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.627 -1.514 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.84 -36.39 83.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.912 -1.117 . . . . 0.0 111.597 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.39 -36.73 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.971 -1.08 . . . . 0.0 113.358 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.28 -37.52 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.632 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.59 -35.42 77.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.817 -1.177 . . . . 0.0 111.865 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.537 -1.352 . . . . 0.0 109.81 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.54 -37.12 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.476 -0.765 . . . . 0.0 111.072 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -34.52 74.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.633 -1.292 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.86 -31.14 31.02 Favored Glycine 0 N--CA 1.489 2.188 0 O-C-N 121.013 -1.054 . . . . 0.0 111.23 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.14 -35.14 61.9 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.598 -1.531 . . . . 0.0 110.177 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.01 -42.64 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 120.8 -1.188 . . . . 0.0 109.212 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.15 -31.53 70.18 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.548 -1.345 . . . . 0.0 110.166 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.1 -21.47 22.43 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.508 -0.745 . . . . 0.0 112.033 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.48 -34.85 69.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.416 -1.428 . . . . 0.0 108.334 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.05 -32.0 70.5 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.335 0.588 . . . . 0.0 110.657 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -59.15 -28.81 66.93 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.255 -0.903 . . . . 0.0 111.823 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 64.72 46.83 2.96 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.682 0.753 . . . . 0.0 109.671 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.114 -0.991 . . . . 0.0 110.1 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -119.24 138.26 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -1.11 . . . . 0.0 109.595 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -113.65 29.8 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.983 -1.073 . . . . 0.0 111.358 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -166.41 -42.72 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.414 -1.429 . . . . 0.0 110.732 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.45 -46.34 90.42 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 105.321 -2.103 . . . . 0.0 105.321 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -58.53 -29.74 66.55 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 124.355 1.062 . . . . 0.0 113.161 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.6 85.65 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.118 -1.433 . . . . 0.0 109.311 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -59.23 -36.14 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 C-N-CA 118.866 -1.134 . . . . 0.0 111.568 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.37 -33.89 77.02 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 119.875 -1.766 . . . . 0.0 110.341 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.39 -44.96 80.73 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.168 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.71 88.61 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.774 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -61.27 -47.85 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 C-N-CA 118.31 -1.356 . . . . 0.0 108.004 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -57.61 -42.17 82.72 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 122.389 1.09 . . . . 0.0 108.187 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -120.49 60.71 0.88 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.266 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -55.6 28.91 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 107.436 -2.266 . . . . 0.0 107.436 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 158.04 78.42 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.953 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.62 114.66 4.46 Favored Glycine 0 N--CA 1.5 2.922 0 O-C-N 119.228 -2.17 . . . . 0.0 108.953 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -178.97 84.67 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.279 -1.13 . . . . 0.0 108.594 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 54.92 -3.3 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.759 0 O-C-N 119.995 -1.69 . . . . 0.0 113.807 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -62.89 -34.84 78.25 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.454 -1.404 . . . . 0.0 111.251 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.92 -58.88 3.52 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.237 -1.385 . . . . 0.0 111.722 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.13 -35.82 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.252 -1.53 . . . . 0.0 111.065 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.14 -35.9 89.03 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.466 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.68 85.2 Favored Glycine 0 N--CA 1.484 1.9 0 O-C-N 121.179 -1.189 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.16 -39.64 82.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.516 -1.579 . . . . 0.0 110.863 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.65 -42.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -70.93 -35.36 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.73 -1.231 . . . . 0.0 109.979 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.19 92.31 Favored Glycine 0 N--CA 1.484 1.853 0 C-N-CA 120.021 -1.085 . . . . 0.0 111.066 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.07 77.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.62 -1.518 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.45 -38.69 84.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.915 -1.115 . . . . 0.0 111.129 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.44 -37.16 79.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.246 -0.909 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.42 -45.06 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 118.525 -1.27 . . . . 0.0 109.703 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.48 -37.36 78.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.469 -0.769 . . . . 0.0 111.484 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.52 76.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.418 -1.426 . . . . 0.0 109.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.51 -36.88 67.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.502 -0.749 . . . . 0.0 111.007 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.09 75.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.538 -1.351 . . . . 0.0 110.604 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -31.62 37.7 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 121.017 -1.052 . . . . 0.0 111.548 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.29 63.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.39 -1.653 . . . . 0.0 110.128 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.6 -42.84 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 120.72 -1.238 . . . . 0.0 109.613 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.63 -31.48 69.54 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.518 -1.364 . . . . 0.0 109.725 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.75 -21.38 27.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.434 -0.791 . . . . 0.0 112.515 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -34.52 70.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.141 -1.6 . . . . 0.0 107.495 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.47 -34.47 70.91 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -62.1 -26.32 68.22 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.647 -1.283 . . . . 0.0 112.158 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.5 46.96 4.03 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 121.655 0.74 . . . . 0.0 109.563 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 120.942 -1.099 . . . . 0.0 110.165 -179.871 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -107.25 34.09 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.262 -1.14 . . . . 0.0 109.48 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -95.52 15.94 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.613 -0.679 . . . . 0.0 109.797 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 177.61 -23.16 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.611 -0.681 . . . . 0.0 111.602 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -61.12 -47.66 85.23 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 117.136 -1.825 . . . . 0.0 106.233 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.44 -29.54 67.85 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.246 1.018 . . . . 0.0 113.298 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.29 84.7 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 118.382 -1.327 . . . . 0.0 109.246 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.97 -35.59 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 120.722 -1.236 . . . . 0.0 110.517 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.55 -34.35 78.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.16 -1.587 . . . . 0.0 110.101 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.12 -46.96 82.22 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 118.956 -1.097 . . . . 0.0 109.201 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.93 86.56 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 117.608 -1.637 . . . . 0.0 108.635 -178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.31 -49.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 C-N-CA 118.496 -1.282 . . . . 0.0 108.673 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.15 -42.75 91.42 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-O 122.414 1.102 . . . . 0.0 108.727 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -110.07 53.04 0.7 Allowed 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.998 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.33 -56.83 11.9 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -136.2 -133.69 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.374 -1.074 . . . . 0.0 110.032 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.06 21.96 6.78 Favored Glycine 0 N--CA 1.501 3.011 0 O-C-N 120.713 -1.242 . . . . 0.0 111.542 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 109.06 -157.53 0.0 OUTLIER 'General case' 0 N--CA 1.533 3.676 0 C-N-CA 125.207 1.403 . . . . 0.0 110.853 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 42.46 -98.58 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 0.0 113.13 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.51 -34.36 76.74 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.906 -1.121 . . . . 0.0 112.088 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -60.88 2.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.37 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.83 -36.27 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.638 -1.289 . . . . 0.0 112.593 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -36.94 92.73 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.615 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.83 78.56 Favored Glycine 0 N--CA 1.482 1.72 0 O-C-N 121.342 -1.093 . . . . 0.0 112.727 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.35 -35.6 73.67 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.36 -1.67 . . . . 0.0 111.689 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.43 -43.51 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.07 -39.87 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.953 -1.092 . . . . 0.0 110.433 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.35 88.88 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.658 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.84 76.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.553 -1.557 . . . . 0.0 111.731 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -39.05 90.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.575 -1.328 . . . . 0.0 111.465 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.37 -37.81 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.2 -40.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 117.646 -1.622 . . . . 0.0 109.555 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.55 -37.02 77.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.114 -0.991 . . . . 0.0 111.556 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.22 78.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.833 -1.167 . . . . 0.0 109.811 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.28 -37.08 67.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.565 -0.71 . . . . 0.0 110.279 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.63 74.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.603 -1.31 . . . . 0.0 109.78 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.55 33.57 Favored Glycine 0 N--CA 1.493 2.488 0 O-C-N 120.836 -1.165 . . . . 0.0 110.866 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.32 -33.53 63.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.643 -1.504 . . . . 0.0 110.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.65 -43.11 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.641 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.18 69.07 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.256 -1.528 . . . . 0.0 110.486 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.17 -21.44 22.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.289 -0.882 . . . . 0.0 112.445 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.45 -35.23 71.82 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.092 -1.63 . . . . 0.0 108.775 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.51 -33.32 71.21 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 121.563 0.697 . . . . 0.0 109.297 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -58.22 -28.44 64.84 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.966 -1.084 . . . . 0.0 111.841 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 64.81 46.18 3.08 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.77 0.795 . . . . 0.0 109.39 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 0.0 110.166 -179.831 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -128.33 128.53 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.041 -1.27 . . . . 0.0 109.447 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -136.54 146.33 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.267 -1.52 . . . . 0.0 110.798 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 178.21 -47.42 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.956 -1.09 . . . . 0.0 109.645 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.55 -42.58 71.11 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.57 -42.73 79.1 Favored 'General case' 0 C--N 1.293 -1.866 0 C-N-CA 118.038 -1.465 . . . . 0.0 107.934 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.76 98.45 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.528 0.68 . . . . 0.0 110.529 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.15 -31.29 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.657 -175.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -63.54 -34.35 77.61 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 120.445 -1.409 . . . . 0.0 109.626 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.03 -47.82 79.98 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.271 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.06 -45.63 93.97 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.594 -1.642 . . . . 0.0 108.25 -178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.7 -48.97 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 118.857 -1.137 . . . . 0.0 108.618 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.81 -43.26 94.6 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-O 122.434 1.111 . . . . 0.0 109.13 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -107.83 47.1 0.91 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.987 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -64.44 -64.11 3.83 Favored Glycine 0 N--CA 1.487 2.096 0 C-N-CA 119.301 -1.428 . . . . 0.0 111.024 -178.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 179.64 -46.11 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.917 -0.755 . . . . 0.0 111.821 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 39.21 78.8 0.05 OUTLIER Glycine 0 N--CA 1.507 3.403 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 102.53 -153.41 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.075 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 43.08 -92.87 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 119.885 -1.759 . . . . 0.0 114.826 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -63.08 -34.61 77.96 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 120.764 -1.21 . . . . 0.0 112.327 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -60.23 2.42 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.243 -1.783 . . . . 0.0 111.912 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.78 -36.14 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.609 -1.307 . . . . 0.0 112.397 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.57 -37.62 93.66 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.391 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.83 -33.75 79.61 Favored Glycine 0 N--CA 1.482 1.746 0 O-C-N 121.284 -1.127 . . . . 0.0 112.835 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.08 -39.38 82.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.454 -1.615 . . . . 0.0 111.212 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.47 -43.39 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.08 -39.78 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.672 -1.267 . . . . 0.0 110.424 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.8 -39.37 87.35 Favored Glycine 0 N--CA 1.485 1.919 0 C-N-CA 120.115 -1.04 . . . . 0.0 110.591 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.69 76.37 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 120.684 -1.48 . . . . 0.0 111.721 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.95 -39.17 91.19 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.634 -1.291 . . . . 0.0 111.353 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.99 -37.5 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -67.68 -39.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.591 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.18 -35.26 76.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.237 -0.915 . . . . 0.0 111.788 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.61 80.57 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.697 -1.252 . . . . 0.0 109.747 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.92 -37.06 70.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.634 -0.666 . . . . 0.0 110.572 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.28 74.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 109.561 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.03 -31.51 33.02 Favored Glycine 0 N--CA 1.495 2.567 0 O-C-N 121.035 -1.041 . . . . 0.0 110.66 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.77 -34.38 58.87 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.931 -1.335 . . . . 0.0 109.387 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.03 -43.48 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.845 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.5 -31.38 69.31 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.42 -1.425 . . . . 0.0 110.613 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.34 -21.02 21.77 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -0.874 . . . . 0.0 112.912 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -35.11 71.05 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.018 -1.676 . . . . 0.0 108.745 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.27 -33.22 70.79 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -57.94 -29.02 64.83 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.873 -1.142 . . . . 0.0 112.147 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 59.18 -78.06 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 122.102 -0.374 . . . . 0.0 111.773 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 O-C-N 120.573 -1.329 . . . . 0.0 110.641 -179.462 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -105.38 41.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.228 -1.16 . . . . 0.0 109.805 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -103.5 14.42 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.405 -0.81 . . . . 0.0 110.072 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -178.94 -25.92 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.514 -0.741 . . . . 0.0 111.277 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.62 -47.1 87.74 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.01 -29.65 67.41 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.6 84.54 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 118.139 -1.425 . . . . 0.0 109.276 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.98 -35.46 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 120.648 -1.282 . . . . 0.0 111.425 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.75 -33.65 76.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 119.976 -1.703 . . . . 0.0 111.459 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -58.4 -41.17 84.33 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 117.783 -1.567 . . . . 0.0 108.229 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.12 84.94 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 117.855 -1.538 . . . . 0.0 108.807 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.38 -48.07 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 C-N-CA 118.559 -1.256 . . . . 0.0 107.685 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.1 -42.58 85.98 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 122.296 1.046 . . . . 0.0 108.741 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -117.69 54.33 0.9 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.868 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.19 -54.26 28.28 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -132.99 -139.78 0.19 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.596 -0.943 . . . . 0.0 111.649 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.52 16.71 9.21 Favored Glycine 0 N--CA 1.495 2.589 0 O-C-N 120.84 -1.163 . . . . 0.0 111.391 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 111.29 -150.67 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.343 0 C-N-CA 124.739 1.216 . . . . 0.0 109.766 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 39.0 -103.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.149 -0.97 . . . . 0.0 113.483 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.78 -34.65 77.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.581 -1.325 . . . . 0.0 113.158 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.68 2.13 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 117.501 -1.68 . . . . 0.0 112.835 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.73 -35.19 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.485 -1.384 . . . . 0.0 112.553 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.32 93.0 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.946 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.94 83.62 Favored Glycine 0 N--CA 1.481 1.67 0 O-C-N 121.117 -1.225 . . . . 0.0 112.696 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.28 -39.91 82.0 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.569 -1.547 . . . . 0.0 111.54 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.98 -42.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.6 -40.06 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 120.782 -1.199 . . . . 0.0 110.081 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.71 -39.5 91.33 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.349 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.88 -33.88 76.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.537 -1.566 . . . . 0.0 111.987 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.38 -38.64 87.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.89 -1.131 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.31 -37.27 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.46 -38.42 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.07 -36.91 78.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.819 -1.176 . . . . 0.0 111.195 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.2 -35.21 78.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.472 -1.393 . . . . 0.0 109.86 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.4 -37.26 68.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.513 -0.742 . . . . 0.0 110.584 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.94 -34.76 75.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.61 -1.306 . . . . 0.0 110.219 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.71 33.85 Favored Glycine 0 N--CA 1.492 2.396 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.58 -34.66 62.3 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.703 -1.469 . . . . 0.0 110.046 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.19 -43.39 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 109.375 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.93 -31.16 69.58 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.583 -1.323 . . . . 0.0 110.161 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -21.25 20.91 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.412 -0.805 . . . . 0.0 112.219 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.86 -34.67 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.438 -1.413 . . . . 0.0 108.071 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.64 -32.41 71.57 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.089 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.54 -27.14 68.4 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.132 -0.98 . . . . 0.0 111.613 176.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 56.66 -82.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.901 -0.499 . . . . 0.0 111.586 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 O-C-N 120.439 -1.413 . . . . 0.0 110.346 -179.878 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . 57.42 23.72 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.243 -1.151 . . . . 0.0 109.78 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -101.83 14.82 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.558 -0.714 . . . . 0.0 109.843 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -179.48 -24.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.575 -0.703 . . . . 0.0 111.223 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.57 -47.3 86.78 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.09 -29.56 67.45 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 123.984 0.913 . . . . 0.0 113.371 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.52 84.63 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 118.11 -1.436 . . . . 0.0 109.258 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -59.06 -35.77 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.81 -1.181 . . . . 0.0 111.575 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.86 -34.25 77.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 119.89 -1.756 . . . . 0.0 110.148 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.45 -46.11 80.49 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.862 -1.135 . . . . 0.0 108.681 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.1 -46.22 91.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.01 -1.476 . . . . 0.0 108.849 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.67 -48.53 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 C-N-CA 118.267 -1.373 . . . . 0.0 108.378 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.69 -42.89 94.0 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 122.446 1.117 . . . . 0.0 109.093 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -109.47 45.93 1.04 Allowed 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.185 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -58.26 -57.45 19.75 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 107.7 -2.16 . . . . 0.0 107.7 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 153.8 81.39 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.004 0 C-N-CA 123.566 0.746 . . . . 0.0 112.158 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.17 113.78 4.72 Favored Glycine 0 N--CA 1.497 2.74 0 O-C-N 119.56 -1.963 . . . . 0.0 108.326 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -177.48 85.07 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.294 -1.121 . . . . 0.0 109.45 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 57.85 0.28 0.11 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.126 -1.609 . . . . 0.0 113.073 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.29 -35.45 79.07 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.4 -1.438 . . . . 0.0 111.989 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -59.98 2.59 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 118.096 -1.441 . . . . 0.0 112.275 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.25 -35.44 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.298 -1.501 . . . . 0.0 111.877 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.15 90.75 Favored Glycine 0 N--CA 1.488 2.137 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.885 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.9 86.12 Favored Glycine 0 N--CA 1.484 1.89 0 O-C-N 121.132 -1.216 . . . . 0.0 112.919 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -39.53 81.26 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.473 -1.604 . . . . 0.0 111.248 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.7 -42.36 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.97 -39.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.84 -1.163 . . . . 0.0 110.212 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.2 90.44 Favored Glycine 0 N--CA 1.486 1.987 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.387 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.42 -33.72 76.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.339 -1.683 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.88 -39.27 88.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.079 . . . . 0.0 112.495 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.79 -32.63 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 112.179 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.43 -45.33 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.458 -1.401 . . . . 0.0 109.283 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.45 -35.11 76.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.697 -0.627 . . . . 0.0 111.954 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.88 77.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.521 -1.362 . . . . 0.0 109.443 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.98 -36.94 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.978 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -34.9 75.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.624 -1.297 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -31.17 33.73 Favored Glycine 0 N--CA 1.49 2.289 0 O-C-N 121.143 -0.973 . . . . 0.0 111.334 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.28 63.93 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.548 -1.56 . . . . 0.0 110.055 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.32 -42.31 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 120.79 -1.194 . . . . 0.0 109.279 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.66 -30.72 68.94 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.596 -1.315 . . . . 0.0 109.91 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.95 -21.21 19.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.328 -0.858 . . . . 0.0 112.173 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.87 -34.42 67.82 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.45 -1.406 . . . . 0.0 108.107 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.67 -32.03 71.24 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.107 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.79 -27.02 68.46 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.081 -1.012 . . . . 0.0 111.62 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.44 46.33 4.38 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.635 0.731 . . . . 0.0 109.702 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 120.94 -1.1 . . . . 0.0 110.137 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -108.97 24.81 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -1.163 . . . . 0.0 110.231 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -98.24 26.23 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -172.22 -34.28 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.456 -0.777 . . . . 0.0 111.151 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -62.56 -47.95 81.6 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 117.074 -1.851 . . . . 0.0 106.169 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -60.58 -30.47 69.82 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.86 92.15 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.191 -1.404 . . . . 0.0 109.822 -177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -62.06 -35.31 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 120.932 -1.105 . . . . 0.0 112.48 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -68.37 -35.8 78.25 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 119.787 -1.821 . . . . 0.0 110.227 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.99 -47.13 83.92 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.758 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.68 81.49 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.882 -1.527 . . . . 0.0 109.812 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -62.76 -50.46 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 C-N-CA 117.894 -1.522 . . . . 0.0 108.959 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -61.53 -45.07 95.75 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 122.115 0.96 . . . . 0.0 109.794 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -85.47 72.48 10.64 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.544 -0.862 . . . . 0.0 111.661 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.49 -47.12 91.75 Favored Glycine 0 N--CA 1.489 2.182 0 C-N-CA 117.695 -2.193 . . . . 0.0 107.867 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -71.05 109.16 4.97 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.833 1.302 . . . . 0.0 113.295 -173.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.4 -174.5 41.83 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -79.02 88.43 4.79 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 176.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 57.74 -5.36 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.522 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -61.88 -35.7 79.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.418 -1.426 . . . . 0.0 112.107 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -59.46 2.98 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.051 -1.46 . . . . 0.0 112.295 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.93 -35.35 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.355 -1.466 . . . . 0.0 111.96 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.37 -36.33 90.77 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.896 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.03 -33.96 86.04 Favored Glycine 0 N--CA 1.486 1.997 0 O-C-N 121.092 -1.24 . . . . 0.0 113.114 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.15 -39.88 82.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.571 -1.547 . . . . 0.0 111.345 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.03 -42.64 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.68 -39.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.683 -1.26 . . . . 0.0 110.375 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.88 -39.62 91.9 Favored Glycine 0 N--CA 1.486 1.997 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.221 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.19 77.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.566 -1.55 . . . . 0.0 112.289 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.77 -37.03 82.79 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.043 . . . . 0.0 110.9 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.3 -37.27 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.091 -1.006 . . . . 0.0 112.165 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.42 -45.41 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.879 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.4 -35.61 77.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.498 -0.751 . . . . 0.0 112.252 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.05 77.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.372 -1.455 . . . . 0.0 109.357 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.84 -37.19 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.552 -0.717 . . . . 0.0 111.181 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.441 -1.412 . . . . 0.0 110.383 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.53 35.53 Favored Glycine 0 N--CA 1.491 2.315 0 O-C-N 121.11 -0.994 . . . . 0.0 111.26 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.74 -33.48 64.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.495 -1.591 . . . . 0.0 110.229 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.17 -42.43 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 120.687 -1.258 . . . . 0.0 109.198 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.02 -31.02 69.56 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.56 -1.338 . . . . 0.0 110.076 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.7 -22.7 24.73 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.846 0.858 . . . . 0.0 112.527 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.45 -34.28 68.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.529 -1.357 . . . . 0.0 108.037 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.48 -32.07 71.06 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.048 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.89 -26.91 68.44 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.279 -0.888 . . . . 0.0 111.572 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 54.16 -84.95 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.926 -0.484 . . . . 0.0 111.539 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.745 0 O-C-N 120.362 -1.461 . . . . 0.0 110.493 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -114.77 17.33 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -1.112 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -132.77 146.41 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.796 -1.19 . . . . 0.0 110.097 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -176.55 -51.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.002 -1.061 . . . . 0.0 108.249 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.72 -42.49 71.6 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.59 -42.72 79.18 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 117.721 -1.592 . . . . 0.0 107.638 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.72 98.06 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -57.37 -31.42 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.684 -175.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -63.18 -33.78 76.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.376 -1.453 . . . . 0.0 109.64 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.86 -46.7 81.62 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 118.743 -1.183 . . . . 0.0 109.159 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.1 91.89 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 117.719 -1.593 . . . . 0.0 108.245 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.24 -48.09 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 C-N-CA 118.579 -1.248 . . . . 0.0 108.086 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.52 -42.74 88.42 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 122.147 0.975 . . . . 0.0 108.719 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -118.48 58.55 0.83 Allowed 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.998 0.904 . . . . 0.0 109.604 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.38 -63.56 3.2 Favored Glycine 0 N--CA 1.484 1.854 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 179.75 -46.89 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.85 -0.794 . . . . 0.0 111.739 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 42.56 77.18 0.09 OUTLIER Glycine 0 N--CA 1.503 3.126 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 103.81 -147.54 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.068 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 42.61 -95.09 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.054 -1.654 . . . . 0.0 114.814 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.58 -35.63 80.1 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.743 -1.223 . . . . 0.0 112.136 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.28 2.44 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.093 -177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.31 -33.19 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.444 -1.41 . . . . 0.0 111.728 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -36.97 93.51 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.984 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -34.11 85.78 Favored Glycine 0 N--CA 1.481 1.687 0 O-C-N 121.139 -1.212 . . . . 0.0 112.983 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -71.06 -36.65 72.36 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.41 -1.641 . . . . 0.0 111.928 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.21 -42.19 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.89 -37.73 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.185 -0.947 . . . . 0.0 109.98 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.39 -38.16 77.9 Favored Glycine 0 N--CA 1.486 1.979 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.121 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.72 76.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.428 -1.631 . . . . 0.0 112.918 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.03 -37.09 85.8 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.779 -1.201 . . . . 0.0 112.827 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.3 -33.28 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.243 -1.536 . . . . 0.0 111.695 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.62 -46.23 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.387 -1.446 . . . . 0.0 109.654 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.78 -37.49 79.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.642 -0.661 . . . . 0.0 112.166 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.36 -34.81 77.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.519 -1.363 . . . . 0.0 109.666 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.77 -37.09 69.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.555 -0.716 . . . . 0.0 110.704 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.94 75.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.457 -1.402 . . . . 0.0 110.139 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.85 -31.27 31.17 Favored Glycine 0 N--CA 1.491 2.362 0 O-C-N 120.968 -1.082 . . . . 0.0 110.735 -176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.93 -35.01 61.23 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.81 -1.406 . . . . 0.0 109.964 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.38 -42.89 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 120.847 -1.158 . . . . 0.0 109.695 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.85 -31.2 69.54 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.459 -1.4 . . . . 0.0 110.381 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.63 -22.26 21.81 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 112.626 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.36 -34.54 68.91 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.4 -1.438 . . . . 0.0 108.29 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.45 -34.03 70.38 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.296 0.57 . . . . 0.0 111.399 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.84 -26.26 68.02 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.876 0.87 . . . . 0.0 111.707 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.71 -37.11 70.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.586 -0.696 . . . . 0.0 110.588 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.024 -1.047 . . . . 0.0 110.396 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -111.04 16.95 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.169 -1.194 . . . . 0.0 110.436 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -133.09 147.74 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.67 -1.269 . . . . 0.0 110.443 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 175.92 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.84 -42.7 72.28 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 118.758 -1.177 . . . . 0.0 108.035 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.49 -42.69 78.71 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 117.936 -1.506 . . . . 0.0 107.6 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.13 99.33 Favored 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.566 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -58.38 -31.34 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 C-N-CA 119.624 -0.83 . . . . 0.0 111.166 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -64.6 -34.18 77.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.376 -1.453 . . . . 0.0 109.829 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.24 -47.09 82.24 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.59 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.54 93.77 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 117.816 -1.553 . . . . 0.0 108.31 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -58.93 -48.31 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 C-N-CA 118.692 -1.203 . . . . 0.0 107.982 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.06 -42.74 91.04 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 122.519 1.152 . . . . 0.0 108.566 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -107.22 48.1 0.86 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.409 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -60.64 8.09 Favored Glycine 0 N--CA 1.486 2.029 0 C-N-CA 118.172 -1.966 . . . . 0.0 108.991 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 170.53 -36.9 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 CA-C-O 121.338 0.589 . . . . 0.0 111.272 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 40.45 81.75 0.02 OUTLIER Glycine 0 N--CA 1.504 3.199 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 106.89 -154.87 0.0 OUTLIER 'General case' 0 N--CA 1.528 3.43 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 43.74 -87.67 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 119.847 -1.783 . . . . 0.0 115.652 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -61.78 -36.66 81.71 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.941 -1.1 . . . . 0.0 112.385 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 117.476 -1.69 . . . . 0.0 111.44 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.98 -36.25 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.498 -1.376 . . . . 0.0 112.182 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.69 -37.05 92.9 Favored Glycine 0 N--CA 1.49 2.292 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.919 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.87 83.35 Favored Glycine 0 N--CA 1.483 1.778 0 O-C-N 121.171 -1.194 . . . . 0.0 112.692 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -40.11 81.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.53 -1.57 . . . . 0.0 111.442 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.26 -42.86 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.56 -39.69 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 120.759 -1.213 . . . . 0.0 110.106 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -39.78 91.41 Favored Glycine 0 N--CA 1.484 1.85 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.085 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.92 76.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.522 -1.576 . . . . 0.0 111.88 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -38.94 90.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.659 -1.275 . . . . 0.0 111.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.78 -37.87 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.38 -40.02 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 117.688 -1.605 . . . . 0.0 109.443 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.986 -1.071 . . . . 0.0 111.502 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.99 78.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.583 -1.323 . . . . 0.0 109.418 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -60.2 -36.72 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.612 -0.68 . . . . 0.0 110.751 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.48 74.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.639 -1.288 . . . . 0.0 110.083 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.82 -31.01 30.45 Favored Glycine 0 N--CA 1.495 2.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.991 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.33 -34.96 62.13 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.456 -1.614 . . . . 0.0 110.748 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.41 -39.26 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 C-N-CA 118.172 -1.411 . . . . 0.0 109.057 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.65 -30.94 69.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.543 -1.348 . . . . 0.0 109.691 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.72 -21.54 19.17 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.363 -0.836 . . . . 0.0 112.321 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.02 -34.63 68.37 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.46 -1.4 . . . . 0.0 108.214 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.56 -32.61 70.51 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.334 0.588 . . . . 0.0 110.891 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -59.39 -28.93 67.34 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.319 -0.863 . . . . 0.0 112.23 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.88 46.73 3.78 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.601 0.715 . . . . 0.0 109.626 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.057 . . . . 0.0 110.153 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -177.83 -40.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.39 -1.065 . . . . 0.0 110.142 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -101.68 6.35 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.277 -0.889 . . . . 0.0 109.981 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -74.32 -73.27 0.24 Allowed 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.856 -1.153 . . . . 0.0 111.47 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -70.36 -34.42 72.6 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 122.269 1.033 . . . . 0.0 112.621 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -58.94 -51.57 69.47 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.82 -1.152 . . . . 0.0 112.342 -174.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.11 74.14 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 116.596 -2.042 . . . . 0.0 109.835 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -67.58 -47.87 78.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 116.703 -1.999 . . . . 0.0 109.448 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -61.08 -47.38 86.6 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 117.238 -1.785 . . . . 0.0 109.719 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -59.45 -47.31 85.96 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.521 -1.671 . . . . 0.0 108.531 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -64.36 -49.46 71.55 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.321 -1.352 . . . . 0.0 110.06 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -64.06 -50.71 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 C-N-CA 117.926 -1.51 . . . . 0.0 109.954 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -60.24 -44.19 95.46 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 122.104 0.954 . . . . 0.0 109.538 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -116.85 48.54 1.29 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.331 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -61.99 -53.78 40.21 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 106.0 -2.84 . . . . 0.0 106.0 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -177.5 -22.01 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 123.448 0.699 . . . . 0.0 109.259 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.34 32.69 8.08 Favored Glycine 0 N--CA 1.492 2.432 0 O-C-N 121.237 -0.914 . . . . 0.0 111.335 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 94.36 -24.69 0.04 OUTLIER 'General case' 0 N--CA 1.518 2.967 0 C-N-CA 125.021 1.329 . . . . 0.0 110.828 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -54.91 -39.15 68.5 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.754 -1.178 . . . . 0.0 109.026 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.34 -35.42 79.04 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.166 -0.959 . . . . 0.0 111.341 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.49 -59.85 2.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.317 -1.353 . . . . 0.0 112.232 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.47 -34.91 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.533 -1.354 . . . . 0.0 111.767 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -36.76 91.98 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.894 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.34 -34.01 83.13 Favored Glycine 0 N--CA 1.483 1.772 0 O-C-N 121.019 -1.283 . . . . 0.0 112.997 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.1 -35.84 74.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.314 -1.698 . . . . 0.0 111.341 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.4 -41.95 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.877 -0.515 . . . . 0.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.69 -39.71 82.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 120.899 -1.126 . . . . 0.0 109.995 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.12 -39.31 89.64 Favored Glycine 0 N--CA 1.484 1.881 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.298 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -33.97 76.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.356 -1.673 . . . . 0.0 112.564 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.34 -39.27 86.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.942 -1.099 . . . . 0.0 112.343 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.45 -32.82 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.958 -1.089 . . . . 0.0 111.967 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.76 -45.6 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.506 -1.371 . . . . 0.0 109.15 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.74 -37.02 77.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.538 -0.726 . . . . 0.0 112.099 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.71 75.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.745 -1.222 . . . . 0.0 109.471 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.5 -36.66 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.599 -0.688 . . . . 0.0 111.06 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.23 74.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.43 -1.419 . . . . 0.0 110.463 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -31.47 32.57 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.957 -1.089 . . . . 0.0 111.137 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.37 -35.45 62.81 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.519 -1.577 . . . . 0.0 110.149 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.67 -43.36 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.993 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -56.26 -35.56 67.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.062 -1.024 . . . . 0.0 109.951 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.44 -22.35 20.08 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.408 -0.808 . . . . 0.0 112.177 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.64 -34.52 69.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.379 -1.451 . . . . 0.0 108.075 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -61.18 -32.42 72.17 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.234 0.54 . . . . 0.0 111.093 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -61.09 -27.77 68.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.269 -0.895 . . . . 0.0 111.188 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 55.69 -83.12 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.936 -0.477 . . . . 0.0 111.608 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 N--CA 1.494 1.737 0 O-C-N 120.497 -1.377 . . . . 0.0 110.319 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -136.64 138.39 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.31 -1.112 . . . . 0.0 110.995 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -134.21 144.58 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 0.0 109.068 173.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -178.3 -36.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.962 -1.086 . . . . 0.0 110.864 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -61.0 -46.83 89.17 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -58.62 -29.81 66.78 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.32 84.88 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 118.27 -1.372 . . . . 0.0 109.672 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -57.84 -35.66 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.796 -1.19 . . . . 0.0 111.738 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -64.32 -33.24 75.39 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 119.917 -1.739 . . . . 0.0 110.258 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.02 -45.38 79.15 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.422 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.67 89.41 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 118.156 -1.418 . . . . 0.0 108.66 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.52 -47.12 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -56.78 -41.65 78.06 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -124.44 60.05 1.17 Allowed 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.62 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.1 -54.29 25.13 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -101.13 -179.79 4.14 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 121.894 0.854 . . . . 0.0 112.818 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.9 -0.3 21.23 Favored Glycine 0 N--CA 1.493 2.447 0 CA-C-O 118.189 -1.34 . . . . 0.0 112.44 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 107.1 148.24 0.01 OUTLIER 'General case' 0 N--CA 1.535 3.778 0 CA-C-N 118.515 1.158 . . . . 0.0 107.985 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 62.11 -2.08 0.34 Allowed 'General case' 0 N--CA 1.513 2.695 0 O-C-N 120.927 -1.108 . . . . 0.0 113.244 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.74 -33.91 76.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.498 -1.376 . . . . 0.0 111.737 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.19 2.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 117.667 -1.613 . . . . 0.0 112.037 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.84 -35.95 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.396 -1.44 . . . . 0.0 112.015 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.74 90.93 Favored Glycine 0 N--CA 1.489 2.211 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.185 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.79 84.2 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 121.157 -1.202 . . . . 0.0 112.902 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.36 -35.84 73.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.5 -1.588 . . . . 0.0 111.816 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -64.13 -42.43 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.04 -39.38 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 120.891 -1.131 . . . . 0.0 110.387 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.97 -39.87 92.47 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.151 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.26 77.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.422 -1.634 . . . . 0.0 112.566 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.03 -39.42 92.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.738 -1.226 . . . . 0.0 111.92 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -70.59 -33.46 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.954 -1.091 . . . . 0.0 112.451 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.4 -44.86 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.55 -1.344 . . . . 0.0 109.307 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.29 -34.47 75.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.724 -0.61 . . . . 0.0 111.935 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.86 74.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.557 -1.339 . . . . 0.0 109.63 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.65 -36.48 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.498 -0.751 . . . . 0.0 110.849 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.6 74.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.573 -1.329 . . . . 0.0 110.314 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.83 -30.73 29.82 Favored Glycine 0 N--CA 1.492 2.397 0 O-C-N 121.019 -1.051 . . . . 0.0 111.01 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.49 -35.07 62.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.491 -1.593 . . . . 0.0 110.526 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.3 -41.96 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.622 -1.299 . . . . 0.0 109.359 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.73 -31.18 69.39 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.64 -1.287 . . . . 0.0 109.759 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.94 -21.55 21.35 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.388 -0.82 . . . . 0.0 112.414 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.67 -34.55 69.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.319 -1.488 . . . . 0.0 108.315 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.91 -32.4 70.72 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.243 0.545 . . . . 0.0 110.468 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -59.43 -28.96 67.42 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.281 -0.887 . . . . 0.0 112.156 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.88 46.56 3.86 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.555 0.693 . . . . 0.0 109.811 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.675 0 O-C-N 120.956 -1.09 . . . . 0.0 110.025 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -129.2 131.04 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.123 -1.222 . . . . 0.0 108.865 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -125.21 130.19 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.285 -1.509 . . . . 0.0 108.441 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -168.73 -50.78 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 119.95 -1.718 . . . . 0.0 108.865 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.85 -42.62 72.19 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.572 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.39 -42.88 78.66 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 117.735 -1.586 . . . . 0.0 107.656 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.23 98.34 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.315 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.98 -31.69 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.139 -0.976 . . . . 0.0 110.651 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -63.48 -34.32 77.52 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.458 -1.401 . . . . 0.0 110.488 175.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -58.7 -41.99 87.56 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 117.711 -1.596 . . . . 0.0 108.393 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.61 -45.66 93.15 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 117.876 -1.53 . . . . 0.0 108.114 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.45 -48.07 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 C-N-CA 118.439 -1.304 . . . . 0.0 108.112 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.9 -43.1 95.04 Favored 'General case' 0 N--CA 1.505 2.276 0 CA-C-O 122.474 1.13 . . . . 0.0 109.676 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -111.26 43.92 1.4 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.899 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -59.61 -61.12 7.59 Favored Glycine 0 N--CA 1.486 2.015 0 C-N-CA 118.087 -2.006 . . . . 0.0 109.072 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 160.04 76.36 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.849 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.62 113.87 4.62 Favored Glycine 0 N--CA 1.496 2.694 0 O-C-N 119.534 -1.979 . . . . 0.0 109.087 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -177.86 84.76 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.272 -1.134 . . . . 0.0 109.894 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 56.57 -2.94 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.553 0 O-C-N 119.859 -1.776 . . . . 0.0 113.63 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -62.82 -34.72 77.9 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.338 -1.476 . . . . 0.0 111.396 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.05 -59.37 3.08 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 118.102 -1.439 . . . . 0.0 111.693 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.88 -35.41 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.198 -1.564 . . . . 0.0 111.153 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.32 89.09 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.926 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.81 -33.7 86.18 Favored Glycine 0 N--CA 1.484 1.867 0 O-C-N 121.122 -1.223 . . . . 0.0 112.912 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.24 -39.3 82.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.673 -1.487 . . . . 0.0 111.377 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.63 -41.69 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.78 -38.82 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.777 -1.202 . . . . 0.0 110.431 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.01 91.33 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.596 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.528 -1.572 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.39 -38.15 83.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.104 -0.997 . . . . 0.0 111.334 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.53 -36.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.197 -0.939 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.806 -1.184 . . . . 0.0 109.73 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.68 -35.35 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.4 -0.812 . . . . 0.0 112.219 -178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.21 75.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.49 -1.381 . . . . 0.0 109.502 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.95 -36.51 67.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.634 -0.666 . . . . 0.0 111.252 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.0 74.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.478 -1.389 . . . . 0.0 110.5 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -30.77 32.83 Favored Glycine 0 N--CA 1.493 2.433 0 O-C-N 120.965 -1.084 . . . . 0.0 111.874 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.42 -33.2 63.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.327 -1.69 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.44 -42.01 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.809 -1.182 . . . . 0.0 109.73 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.67 -30.99 69.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.671 -1.268 . . . . 0.0 110.205 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -23.12 31.9 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.532 0.733 . . . . 0.0 112.669 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.05 -34.56 68.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.41 -1.431 . . . . 0.0 107.631 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.18 -34.5 72.19 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.358 0.663 . . . . 0.0 109.977 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -61.62 -27.17 68.47 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.731 -1.231 . . . . 0.0 111.928 176.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 54.56 -81.14 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.123 0 CA-C-O 120.731 0.301 . . . . 0.0 111.447 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 120.811 -1.18 . . . . 0.0 110.071 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -115.81 133.47 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.194 -1.18 . . . . 0.0 109.477 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -136.31 152.44 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.326 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -131.77 -125.16 0.19 Allowed 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -49.54 -35.58 20.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.561 -1.337 . . . . 0.0 110.969 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -55.87 -29.02 59.26 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 119.306 -2.121 . . . . 0.0 109.978 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.48 -36.12 66.27 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -54.68 -30.91 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -61.96 -33.87 75.09 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.798 -1.189 . . . . 0.0 110.127 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.33 -46.24 79.98 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.993 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.15 91.71 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 118.057 -1.457 . . . . 0.0 108.375 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.59 -48.66 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 C-N-CA 118.77 -1.172 . . . . 0.0 108.19 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.16 -42.49 86.07 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 122.434 1.112 . . . . 0.0 108.542 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -114.36 57.25 0.7 Allowed 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.925 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.34 -57.33 10.55 Favored Glycine 0 N--CA 1.485 1.954 0 N-CA-C 108.187 -1.965 . . . . 0.0 108.187 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -131.74 -135.72 0.19 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.485 -1.009 . . . . 0.0 110.387 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.99 16.26 7.42 Favored Glycine 0 N--CA 1.502 3.09 0 O-C-N 120.679 -1.263 . . . . 0.0 111.647 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 110.07 -152.77 0.0 OUTLIER 'General case' 0 N--CA 1.525 3.281 0 C-N-CA 124.773 1.229 . . . . 0.0 109.681 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 41.38 -100.5 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.901 -1.124 . . . . 0.0 113.238 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.3 -34.15 76.03 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.679 -1.263 . . . . 0.0 112.345 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.69 2.14 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.658 -1.617 . . . . 0.0 112.421 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -35.4 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.624 -1.297 . . . . 0.0 112.529 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.94 94.03 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.499 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.85 -33.87 80.23 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.068 -1.254 . . . . 0.0 112.874 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.22 -39.87 82.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.42 -1.635 . . . . 0.0 111.505 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.15 -43.05 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.89 -40.07 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.673 -1.267 . . . . 0.0 110.126 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.06 -39.6 89.98 Favored Glycine 0 N--CA 1.484 1.84 0 C-N-CA 120.31 -0.947 . . . . 0.0 110.964 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.07 77.35 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.644 -1.503 . . . . 0.0 112.048 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.26 -38.73 90.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.726 -1.234 . . . . 0.0 111.632 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.26 -37.93 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.57 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 117.365 -1.734 . . . . 0.0 109.651 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.04 -34.95 75.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.987 -1.071 . . . . 0.0 111.391 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.21 79.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.724 -1.235 . . . . 0.0 109.328 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.71 -36.99 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.546 -0.721 . . . . 0.0 110.748 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.67 74.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.759 -1.213 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.04 -31.86 33.81 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 121.042 -1.036 . . . . 0.0 111.017 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.16 -34.59 60.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.707 -1.467 . . . . 0.0 110.062 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.15 -43.3 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 118.911 -1.116 . . . . 0.0 109.68 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.75 -31.26 69.48 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.695 -1.253 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.04 -21.04 19.31 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.37 -0.831 . . . . 0.0 112.6 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.32 -34.54 68.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.522 -1.362 . . . . 0.0 108.063 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.28 -32.6 70.17 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.922 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -59.71 -28.76 67.6 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.939 0.895 . . . . 0.0 112.277 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 57.67 -80.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 122.035 -0.416 . . . . 0.0 111.268 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.601 0 O-C-N 120.556 -1.34 . . . . 0.0 110.404 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -104.03 37.04 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.221 -1.164 . . . . 0.0 109.399 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -98.25 16.94 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.59 -0.694 . . . . 0.0 109.827 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 178.95 -24.47 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.455 -0.778 . . . . 0.0 111.356 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.1 -47.13 87.19 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.37 -29.67 67.86 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 124.715 1.206 . . . . 0.0 113.721 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.55 81.61 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.295 -1.362 . . . . 0.0 109.169 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.98 -36.03 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.942 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.41 -34.8 79.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.083 -1.636 . . . . 0.0 109.61 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.26 -47.09 82.3 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.653 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.7 -46.39 89.86 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 117.687 -1.605 . . . . 0.0 108.341 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.76 -48.94 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 C-N-CA 118.277 -1.369 . . . . 0.0 108.762 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.55 -42.29 92.04 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-O 122.628 1.204 . . . . 0.0 109.206 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -111.43 45.46 1.2 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.175 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -61.64 -63.63 4.66 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 118.594 -1.765 . . . . 0.0 109.801 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 160.59 73.24 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.22 118.95 5.71 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . 174.86 89.92 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.778 -0.836 . . . . 0.0 110.488 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 60.08 -4.46 0.1 Allowed 'General case' 0 N--CA 1.511 2.623 0 O-C-N 119.622 -1.924 . . . . 0.0 112.549 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -62.45 -35.44 79.3 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 120.347 -1.471 . . . . 0.0 112.407 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.21 -60.2 2.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 117.773 -1.571 . . . . 0.0 112.187 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -36.08 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.234 -1.541 . . . . 0.0 111.962 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.41 -35.46 91.05 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.72 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.56 -33.67 85.72 Favored Glycine 0 N--CA 1.482 1.711 0 O-C-N 121.221 -1.164 . . . . 0.0 112.728 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.45 -39.08 81.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.687 -1.478 . . . . 0.0 111.759 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.68 -42.42 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.21 -38.44 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.688 -1.257 . . . . 0.0 110.741 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.42 -38.74 88.51 Favored Glycine 0 N--CA 1.486 1.969 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.079 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.71 76.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.738 -1.448 . . . . 0.0 112.066 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.04 -37.45 82.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.993 -1.067 . . . . 0.0 111.788 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.13 -36.99 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.32 -37.98 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.998 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.46 -36.77 79.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.033 . . . . 0.0 111.972 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.51 77.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.72 -1.238 . . . . 0.0 110.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.64 -36.37 65.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 110.368 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.42 73.91 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.649 -1.282 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.77 -30.55 28.88 Favored Glycine 0 N--CA 1.492 2.398 0 O-C-N 120.76 -1.213 . . . . 0.0 111.133 -176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.63 -34.84 59.93 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.488 . . . . 0.0 109.981 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.85 -42.56 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 120.652 -1.28 . . . . 0.0 109.887 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.04 68.93 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.44 -1.413 . . . . 0.0 110.193 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.12 -22.41 16.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.173 -0.954 . . . . 0.0 112.25 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.97 -34.81 68.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.369 -1.457 . . . . 0.0 108.906 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.61 -33.76 70.38 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.513 0.673 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.13 -26.32 67.6 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.342 -0.849 . . . . 0.0 111.666 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.3 -37.31 69.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.499 -0.751 . . . . 0.0 111.233 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 O-C-N 120.891 -1.131 . . . . 0.0 110.443 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -122.92 129.61 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -1.135 . . . . 0.0 110.538 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -137.86 147.66 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.035 -1.041 . . . . 0.0 109.997 175.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -176.31 -40.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.666 -1.271 . . . . 0.0 110.873 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.97 -47.18 87.64 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 117.126 -1.83 . . . . 0.0 106.28 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -62.48 -26.27 68.44 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.998 0.919 . . . . 0.0 113.35 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.4 85.13 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 118.147 -1.421 . . . . 0.0 109.241 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -58.05 -35.47 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.934 -1.104 . . . . 0.0 110.586 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -66.13 -34.98 79.29 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.199 -1.563 . . . . 0.0 110.002 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.88 -46.46 81.84 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 118.961 -1.095 . . . . 0.0 109.14 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.73 87.33 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.686 -1.606 . . . . 0.0 108.934 -178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -61.87 -49.48 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 C-N-CA 118.325 -1.35 . . . . 0.0 108.802 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.81 -42.53 93.66 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 122.448 1.118 . . . . 0.0 108.778 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -106.12 49.55 0.8 Allowed 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.271 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.31 -52.44 51.62 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 107.579 -2.208 . . . . 0.0 107.579 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -60.35 131.44 50.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.727 -0.867 . . . . 0.0 110.634 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.4 -60.6 0.6 Allowed Glycine 0 N--CA 1.488 2.141 0 C-N-CA 119.961 -1.114 . . . . 0.0 112.203 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 175.6 92.78 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.725 -0.868 . . . . 0.0 109.529 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 61.42 -1.99 0.27 Allowed 'General case' 0 N--CA 1.512 2.668 0 CA-C-N 120.902 1.683 . . . . 0.0 112.664 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -63.08 -34.45 77.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.27 -1.519 . . . . 0.0 112.325 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 -60.64 2.15 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 117.774 -1.57 . . . . 0.0 112.199 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.89 -35.66 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.457 -1.402 . . . . 0.0 111.99 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.19 -35.68 91.23 Favored Glycine 0 N--CA 1.49 2.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.934 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -33.72 83.1 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 121.147 -1.208 . . . . 0.0 112.609 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.46 -35.43 73.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.586 -1.538 . . . . 0.0 111.73 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.68 -42.72 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.1 -39.22 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.867 -1.146 . . . . 0.0 110.565 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.24 -38.83 88.48 Favored Glycine 0 N--CA 1.485 1.957 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.786 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.68 76.44 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.697 -1.473 . . . . 0.0 111.775 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.01 -36.85 84.95 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.679 -1.263 . . . . 0.0 111.606 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.87 -37.76 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.26 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 C-N-CA 117.74 -1.584 . . . . 0.0 109.796 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.66 -35.3 77.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 111.579 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.81 77.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.679 -1.263 . . . . 0.0 109.747 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.86 -36.89 69.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.557 -0.714 . . . . 0.0 110.646 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.79 75.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.544 -1.348 . . . . 0.0 109.98 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.89 -30.58 29.88 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 120.877 -1.139 . . . . 0.0 111.333 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.06 -32.85 62.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.588 -1.536 . . . . 0.0 109.589 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -52.86 -42.34 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 C-N-CA 119.08 -1.048 . . . . 0.0 109.696 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.59 -30.45 68.68 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.601 -1.312 . . . . 0.0 110.34 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.47 -21.65 17.31 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.411 -0.806 . . . . 0.0 112.185 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.3 -34.9 69.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.404 -1.435 . . . . 0.0 108.289 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -57.9 -33.78 69.12 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.624 0.725 . . . . 0.0 110.595 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -58.28 -29.91 66.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.351 -0.843 . . . . 0.0 112.614 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 58.45 -78.92 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.963 -0.461 . . . . 0.0 111.505 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 120.543 -1.348 . . . . 0.0 110.313 -179.855 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.278 0.561 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -60.4 2.32 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 117.813 -1.555 . . . . 0.0 112.127 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.52 -35.51 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.426 -1.421 . . . . 0.0 111.805 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.96 91.45 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.991 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.6 83.1 Favored Glycine 0 N--CA 1.484 1.886 0 O-C-N 121.157 -1.201 . . . . 0.0 112.94 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.57 -35.82 73.28 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.502 -1.587 . . . . 0.0 111.885 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.84 -42.53 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.05 -39.37 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 120.925 -1.11 . . . . 0.0 110.673 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.79 -39.3 91.21 Favored Glycine 0 N--CA 1.487 2.055 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.384 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.6 76.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.627 -1.514 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.84 -36.39 83.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.912 -1.117 . . . . 0.0 111.597 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.39 -36.73 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.971 -1.08 . . . . 0.0 113.358 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.28 -37.52 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.632 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.59 -35.42 77.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.817 -1.177 . . . . 0.0 111.865 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.537 -1.352 . . . . 0.0 109.81 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.54 -37.12 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.476 -0.765 . . . . 0.0 111.072 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -34.52 74.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.633 -1.292 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.86 -31.14 31.02 Favored Glycine 0 N--CA 1.489 2.188 0 O-C-N 121.013 -1.054 . . . . 0.0 111.23 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.14 -35.14 61.9 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.598 -1.531 . . . . 0.0 110.177 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.01 -42.64 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 120.8 -1.188 . . . . 0.0 109.212 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.15 -31.53 70.18 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.548 -1.345 . . . . 0.0 110.166 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.1 -21.47 22.43 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.508 -0.745 . . . . 0.0 112.033 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.48 -34.85 69.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.416 -1.428 . . . . 0.0 108.334 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.05 -32.0 70.5 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.335 0.588 . . . . 0.0 110.657 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.255 -0.903 . . . . 0.0 111.823 175.566 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.591 0.71 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.92 -58.88 3.52 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.237 -1.385 . . . . 0.0 111.722 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.13 -35.82 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.252 -1.53 . . . . 0.0 111.065 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.14 -35.9 89.03 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.466 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.68 85.2 Favored Glycine 0 N--CA 1.484 1.9 0 O-C-N 121.179 -1.189 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.16 -39.64 82.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.516 -1.579 . . . . 0.0 110.863 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.65 -42.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -70.93 -35.36 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.73 -1.231 . . . . 0.0 109.979 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.19 92.31 Favored Glycine 0 N--CA 1.484 1.853 0 C-N-CA 120.021 -1.085 . . . . 0.0 111.066 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.07 77.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.62 -1.518 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.45 -38.69 84.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.915 -1.115 . . . . 0.0 111.129 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.44 -37.16 79.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.246 -0.909 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.42 -45.06 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 118.525 -1.27 . . . . 0.0 109.703 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.48 -37.36 78.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.469 -0.769 . . . . 0.0 111.484 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.52 76.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.418 -1.426 . . . . 0.0 109.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.51 -36.88 67.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.502 -0.749 . . . . 0.0 111.007 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.09 75.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.538 -1.351 . . . . 0.0 110.604 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -31.62 37.7 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 121.017 -1.052 . . . . 0.0 111.548 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.29 63.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.39 -1.653 . . . . 0.0 110.128 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.6 -42.84 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 120.72 -1.238 . . . . 0.0 109.613 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.63 -31.48 69.54 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.518 -1.364 . . . . 0.0 109.725 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.75 -21.38 27.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.434 -0.791 . . . . 0.0 112.515 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -34.52 70.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.141 -1.6 . . . . 0.0 107.495 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.47 -34.47 70.91 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.156 0 O-C-N 120.647 -1.283 . . . . 0.0 112.158 176.062 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 121.256 0.551 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -60.88 2.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.37 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.83 -36.27 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.638 -1.289 . . . . 0.0 112.593 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -36.94 92.73 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.615 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.83 78.56 Favored Glycine 0 N--CA 1.482 1.72 0 O-C-N 121.342 -1.093 . . . . 0.0 112.727 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.35 -35.6 73.67 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.36 -1.67 . . . . 0.0 111.689 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.43 -43.51 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.07 -39.87 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.953 -1.092 . . . . 0.0 110.433 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.35 88.88 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.658 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.84 76.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.553 -1.557 . . . . 0.0 111.731 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -39.05 90.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.575 -1.328 . . . . 0.0 111.465 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.37 -37.81 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.2 -40.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 117.646 -1.622 . . . . 0.0 109.555 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.55 -37.02 77.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.114 -0.991 . . . . 0.0 111.556 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.22 78.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.833 -1.167 . . . . 0.0 109.811 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.28 -37.08 67.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.565 -0.71 . . . . 0.0 110.279 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.63 74.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.603 -1.31 . . . . 0.0 109.78 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.55 33.57 Favored Glycine 0 N--CA 1.493 2.488 0 O-C-N 120.836 -1.165 . . . . 0.0 110.866 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.32 -33.53 63.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.643 -1.504 . . . . 0.0 110.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.65 -43.11 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.641 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.18 69.07 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.256 -1.528 . . . . 0.0 110.486 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.17 -21.44 22.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.289 -0.882 . . . . 0.0 112.445 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.45 -35.23 71.82 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.092 -1.63 . . . . 0.0 108.775 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.51 -33.32 71.21 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 121.563 0.697 . . . . 0.0 109.297 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.801 0 O-C-N 120.966 -1.084 . . . . 0.0 111.841 175.327 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.168 0.509 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -60.23 2.42 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.243 -1.783 . . . . 0.0 111.912 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.78 -36.14 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.609 -1.307 . . . . 0.0 112.397 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.57 -37.62 93.66 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.391 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.83 -33.75 79.61 Favored Glycine 0 N--CA 1.482 1.746 0 O-C-N 121.284 -1.127 . . . . 0.0 112.835 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.08 -39.38 82.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.454 -1.615 . . . . 0.0 111.212 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.47 -43.39 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.08 -39.78 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.672 -1.267 . . . . 0.0 110.424 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.8 -39.37 87.35 Favored Glycine 0 N--CA 1.485 1.919 0 C-N-CA 120.115 -1.04 . . . . 0.0 110.591 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.69 76.37 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 120.684 -1.48 . . . . 0.0 111.721 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.95 -39.17 91.19 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.634 -1.291 . . . . 0.0 111.353 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.99 -37.5 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -67.68 -39.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.591 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.18 -35.26 76.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.237 -0.915 . . . . 0.0 111.788 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.61 80.57 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.697 -1.252 . . . . 0.0 109.747 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.92 -37.06 70.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.634 -0.666 . . . . 0.0 110.572 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.28 74.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 109.561 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.03 -31.51 33.02 Favored Glycine 0 N--CA 1.495 2.567 0 O-C-N 121.035 -1.041 . . . . 0.0 110.66 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.77 -34.38 58.87 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.931 -1.335 . . . . 0.0 109.387 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.03 -43.48 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.845 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.5 -31.38 69.31 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.42 -1.425 . . . . 0.0 110.613 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.34 -21.02 21.77 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -0.874 . . . . 0.0 112.912 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -35.11 71.05 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.018 -1.676 . . . . 0.0 108.745 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.27 -33.22 70.79 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 O-C-N 120.873 -1.142 . . . . 0.0 112.147 175.551 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.68 2.13 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 117.501 -1.68 . . . . 0.0 112.835 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.73 -35.19 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.485 -1.384 . . . . 0.0 112.553 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.32 93.0 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.946 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.94 83.62 Favored Glycine 0 N--CA 1.481 1.67 0 O-C-N 121.117 -1.225 . . . . 0.0 112.696 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.28 -39.91 82.0 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.569 -1.547 . . . . 0.0 111.54 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.98 -42.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.6 -40.06 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 120.782 -1.199 . . . . 0.0 110.081 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.71 -39.5 91.33 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.349 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.88 -33.88 76.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.537 -1.566 . . . . 0.0 111.987 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.38 -38.64 87.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.89 -1.131 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.31 -37.27 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.46 -38.42 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.07 -36.91 78.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.819 -1.176 . . . . 0.0 111.195 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.2 -35.21 78.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.472 -1.393 . . . . 0.0 109.86 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.4 -37.26 68.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.513 -0.742 . . . . 0.0 110.584 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.94 -34.76 75.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.61 -1.306 . . . . 0.0 110.219 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.71 33.85 Favored Glycine 0 N--CA 1.492 2.396 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.58 -34.66 62.3 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.703 -1.469 . . . . 0.0 110.046 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.19 -43.39 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 109.375 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.93 -31.16 69.58 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.583 -1.323 . . . . 0.0 110.161 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -21.25 20.91 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.412 -0.805 . . . . 0.0 112.219 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.86 -34.67 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.438 -1.413 . . . . 0.0 108.071 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.64 -32.41 71.57 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.089 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.132 -0.98 . . . . 0.0 111.613 176.04 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.457 0.646 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -59.98 2.59 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 118.096 -1.441 . . . . 0.0 112.275 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.25 -35.44 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.298 -1.501 . . . . 0.0 111.877 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.15 90.75 Favored Glycine 0 N--CA 1.488 2.137 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.885 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.9 86.12 Favored Glycine 0 N--CA 1.484 1.89 0 O-C-N 121.132 -1.216 . . . . 0.0 112.919 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -39.53 81.26 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.473 -1.604 . . . . 0.0 111.248 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.7 -42.36 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.97 -39.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.84 -1.163 . . . . 0.0 110.212 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.2 90.44 Favored Glycine 0 N--CA 1.486 1.987 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.387 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.42 -33.72 76.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.339 -1.683 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.88 -39.27 88.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.079 . . . . 0.0 112.495 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.79 -32.63 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 112.179 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.43 -45.33 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.458 -1.401 . . . . 0.0 109.283 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.45 -35.11 76.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.697 -0.627 . . . . 0.0 111.954 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.88 77.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.521 -1.362 . . . . 0.0 109.443 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.98 -36.94 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.978 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -34.9 75.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.624 -1.297 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -31.17 33.73 Favored Glycine 0 N--CA 1.49 2.289 0 O-C-N 121.143 -0.973 . . . . 0.0 111.334 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.28 63.93 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.548 -1.56 . . . . 0.0 110.055 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.32 -42.31 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 120.79 -1.194 . . . . 0.0 109.279 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.66 -30.72 68.94 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.596 -1.315 . . . . 0.0 109.91 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.95 -21.21 19.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.328 -0.858 . . . . 0.0 112.173 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.87 -34.42 67.82 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.45 -1.406 . . . . 0.0 108.107 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.67 -32.03 71.24 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.107 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.93 0 O-C-N 121.081 -1.012 . . . . 0.0 111.62 176.174 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.43 0.633 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -59.46 2.98 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.051 -1.46 . . . . 0.0 112.295 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.93 -35.35 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.355 -1.466 . . . . 0.0 111.96 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.37 -36.33 90.77 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.896 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.03 -33.96 86.04 Favored Glycine 0 N--CA 1.486 1.997 0 O-C-N 121.092 -1.24 . . . . 0.0 113.114 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.15 -39.88 82.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.571 -1.547 . . . . 0.0 111.345 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.03 -42.64 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.68 -39.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.683 -1.26 . . . . 0.0 110.375 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.88 -39.62 91.9 Favored Glycine 0 N--CA 1.486 1.997 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.221 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.19 77.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.566 -1.55 . . . . 0.0 112.289 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.77 -37.03 82.79 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.043 . . . . 0.0 110.9 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.3 -37.27 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.091 -1.006 . . . . 0.0 112.165 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.42 -45.41 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.879 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.4 -35.61 77.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.498 -0.751 . . . . 0.0 112.252 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.05 77.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.372 -1.455 . . . . 0.0 109.357 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.84 -37.19 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.552 -0.717 . . . . 0.0 111.181 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.441 -1.412 . . . . 0.0 110.383 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.53 35.53 Favored Glycine 0 N--CA 1.491 2.315 0 O-C-N 121.11 -0.994 . . . . 0.0 111.26 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.74 -33.48 64.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.495 -1.591 . . . . 0.0 110.229 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.17 -42.43 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 120.687 -1.258 . . . . 0.0 109.198 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.02 -31.02 69.56 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.56 -1.338 . . . . 0.0 110.076 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.7 -22.7 24.73 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.846 0.858 . . . . 0.0 112.527 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.45 -34.28 68.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.529 -1.357 . . . . 0.0 108.037 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.48 -32.07 71.06 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.048 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.098 0 O-C-N 121.279 -0.888 . . . . 0.0 111.572 175.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.251 0.548 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.28 2.44 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.093 -177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.31 -33.19 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.444 -1.41 . . . . 0.0 111.728 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -36.97 93.51 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.984 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -34.11 85.78 Favored Glycine 0 N--CA 1.481 1.687 0 O-C-N 121.139 -1.212 . . . . 0.0 112.983 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -71.06 -36.65 72.36 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.41 -1.641 . . . . 0.0 111.928 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.21 -42.19 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.89 -37.73 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.185 -0.947 . . . . 0.0 109.98 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.39 -38.16 77.9 Favored Glycine 0 N--CA 1.486 1.979 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.121 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.72 76.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.428 -1.631 . . . . 0.0 112.918 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.03 -37.09 85.8 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.779 -1.201 . . . . 0.0 112.827 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.3 -33.28 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.243 -1.536 . . . . 0.0 111.695 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.62 -46.23 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.387 -1.446 . . . . 0.0 109.654 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.78 -37.49 79.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.642 -0.661 . . . . 0.0 112.166 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.36 -34.81 77.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.519 -1.363 . . . . 0.0 109.666 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.77 -37.09 69.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.555 -0.716 . . . . 0.0 110.704 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.94 75.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.457 -1.402 . . . . 0.0 110.139 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.85 -31.27 31.17 Favored Glycine 0 N--CA 1.491 2.362 0 O-C-N 120.968 -1.082 . . . . 0.0 110.735 -176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.93 -35.01 61.23 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.81 -1.406 . . . . 0.0 109.964 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.38 -42.89 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 120.847 -1.158 . . . . 0.0 109.695 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.85 -31.2 69.54 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.459 -1.4 . . . . 0.0 110.381 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.63 -22.26 21.81 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 112.626 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.36 -34.54 68.91 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.4 -1.438 . . . . 0.0 108.29 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.45 -34.03 70.38 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.296 0.57 . . . . 0.0 111.399 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.957 0 C-N-CA 123.876 0.87 . . . . 0.0 111.707 176.531 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.285 0.564 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 117.476 -1.69 . . . . 0.0 111.44 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.98 -36.25 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.498 -1.376 . . . . 0.0 112.182 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.69 -37.05 92.9 Favored Glycine 0 N--CA 1.49 2.292 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.919 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.87 83.35 Favored Glycine 0 N--CA 1.483 1.778 0 O-C-N 121.171 -1.194 . . . . 0.0 112.692 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -40.11 81.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.53 -1.57 . . . . 0.0 111.442 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.26 -42.86 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.56 -39.69 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 120.759 -1.213 . . . . 0.0 110.106 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -39.78 91.41 Favored Glycine 0 N--CA 1.484 1.85 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.085 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.92 76.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.522 -1.576 . . . . 0.0 111.88 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -38.94 90.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.659 -1.275 . . . . 0.0 111.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.78 -37.87 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.38 -40.02 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 117.688 -1.605 . . . . 0.0 109.443 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.986 -1.071 . . . . 0.0 111.502 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.99 78.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.583 -1.323 . . . . 0.0 109.418 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -60.2 -36.72 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.612 -0.68 . . . . 0.0 110.751 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.48 74.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.639 -1.288 . . . . 0.0 110.083 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.82 -31.01 30.45 Favored Glycine 0 N--CA 1.495 2.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.991 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.33 -34.96 62.13 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.456 -1.614 . . . . 0.0 110.748 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.41 -39.26 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 C-N-CA 118.172 -1.411 . . . . 0.0 109.057 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.65 -30.94 69.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.543 -1.348 . . . . 0.0 109.691 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.72 -21.54 19.17 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.363 -0.836 . . . . 0.0 112.321 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.02 -34.63 68.37 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.46 -1.4 . . . . 0.0 108.214 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.56 -32.61 70.51 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.334 0.588 . . . . 0.0 110.891 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.319 -0.863 . . . . 0.0 112.23 175.717 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.71 0.767 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.49 -59.85 2.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.317 -1.353 . . . . 0.0 112.232 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.47 -34.91 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.533 -1.354 . . . . 0.0 111.767 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -36.76 91.98 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.894 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.34 -34.01 83.13 Favored Glycine 0 N--CA 1.483 1.772 0 O-C-N 121.019 -1.283 . . . . 0.0 112.997 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.1 -35.84 74.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.314 -1.698 . . . . 0.0 111.341 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.4 -41.95 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.877 -0.515 . . . . 0.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.69 -39.71 82.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 120.899 -1.126 . . . . 0.0 109.995 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.12 -39.31 89.64 Favored Glycine 0 N--CA 1.484 1.881 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.298 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -33.97 76.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.356 -1.673 . . . . 0.0 112.564 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.34 -39.27 86.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.942 -1.099 . . . . 0.0 112.343 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.45 -32.82 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.958 -1.089 . . . . 0.0 111.967 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.76 -45.6 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.506 -1.371 . . . . 0.0 109.15 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.74 -37.02 77.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.538 -0.726 . . . . 0.0 112.099 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.71 75.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.745 -1.222 . . . . 0.0 109.471 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.5 -36.66 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.599 -0.688 . . . . 0.0 111.06 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.23 74.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.43 -1.419 . . . . 0.0 110.463 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -31.47 32.57 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.957 -1.089 . . . . 0.0 111.137 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.37 -35.45 62.81 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.519 -1.577 . . . . 0.0 110.149 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.67 -43.36 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.993 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -56.26 -35.56 67.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.062 -1.024 . . . . 0.0 109.951 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.44 -22.35 20.08 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.408 -0.808 . . . . 0.0 112.177 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.64 -34.52 69.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.379 -1.451 . . . . 0.0 108.075 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -61.18 -32.42 72.17 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.234 0.54 . . . . 0.0 111.093 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.269 -0.895 . . . . 0.0 111.188 176.235 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.174 0.511 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.19 2.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 117.667 -1.613 . . . . 0.0 112.037 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.84 -35.95 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.396 -1.44 . . . . 0.0 112.015 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.74 90.93 Favored Glycine 0 N--CA 1.489 2.211 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.185 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.79 84.2 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 121.157 -1.202 . . . . 0.0 112.902 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.36 -35.84 73.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.5 -1.588 . . . . 0.0 111.816 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -64.13 -42.43 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.04 -39.38 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 120.891 -1.131 . . . . 0.0 110.387 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.97 -39.87 92.47 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.151 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.26 77.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.422 -1.634 . . . . 0.0 112.566 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.03 -39.42 92.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.738 -1.226 . . . . 0.0 111.92 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -70.59 -33.46 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.954 -1.091 . . . . 0.0 112.451 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.4 -44.86 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.55 -1.344 . . . . 0.0 109.307 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.29 -34.47 75.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.724 -0.61 . . . . 0.0 111.935 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.86 74.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.557 -1.339 . . . . 0.0 109.63 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.65 -36.48 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.498 -0.751 . . . . 0.0 110.849 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.6 74.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.573 -1.329 . . . . 0.0 110.314 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.83 -30.73 29.82 Favored Glycine 0 N--CA 1.492 2.397 0 O-C-N 121.019 -1.051 . . . . 0.0 111.01 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.49 -35.07 62.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.491 -1.593 . . . . 0.0 110.526 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.3 -41.96 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.622 -1.299 . . . . 0.0 109.359 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.73 -31.18 69.39 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.64 -1.287 . . . . 0.0 109.759 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.94 -21.55 21.35 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.388 -0.82 . . . . 0.0 112.414 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.67 -34.55 69.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.319 -1.488 . . . . 0.0 108.315 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.91 -32.4 70.72 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.243 0.545 . . . . 0.0 110.468 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.925 0 O-C-N 121.281 -0.887 . . . . 0.0 112.156 175.448 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.56 0.695 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.05 -59.37 3.08 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 118.102 -1.439 . . . . 0.0 111.693 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.88 -35.41 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.198 -1.564 . . . . 0.0 111.153 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.32 89.09 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.926 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.81 -33.7 86.18 Favored Glycine 0 N--CA 1.484 1.867 0 O-C-N 121.122 -1.223 . . . . 0.0 112.912 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.24 -39.3 82.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.673 -1.487 . . . . 0.0 111.377 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.63 -41.69 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.78 -38.82 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.777 -1.202 . . . . 0.0 110.431 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.01 91.33 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.596 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.528 -1.572 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.39 -38.15 83.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.104 -0.997 . . . . 0.0 111.334 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.53 -36.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.197 -0.939 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.806 -1.184 . . . . 0.0 109.73 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.68 -35.35 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.4 -0.812 . . . . 0.0 112.219 -178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.21 75.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.49 -1.381 . . . . 0.0 109.502 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.95 -36.51 67.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.634 -0.666 . . . . 0.0 111.252 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.0 74.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.478 -1.389 . . . . 0.0 110.5 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -30.77 32.83 Favored Glycine 0 N--CA 1.493 2.433 0 O-C-N 120.965 -1.084 . . . . 0.0 111.874 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.42 -33.2 63.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.327 -1.69 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.44 -42.01 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.809 -1.182 . . . . 0.0 109.73 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.67 -30.99 69.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.671 -1.268 . . . . 0.0 110.205 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -23.12 31.9 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.532 0.733 . . . . 0.0 112.669 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.05 -34.56 68.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.41 -1.431 . . . . 0.0 107.631 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.18 -34.5 72.19 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.358 0.663 . . . . 0.0 109.977 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.052 0 O-C-N 120.731 -1.231 . . . . 0.0 111.928 176.446 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 121.228 0.537 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.69 2.14 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.658 -1.617 . . . . 0.0 112.421 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -35.4 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.624 -1.297 . . . . 0.0 112.529 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.94 94.03 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.499 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.85 -33.87 80.23 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.068 -1.254 . . . . 0.0 112.874 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.22 -39.87 82.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.42 -1.635 . . . . 0.0 111.505 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.15 -43.05 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.89 -40.07 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.673 -1.267 . . . . 0.0 110.126 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.06 -39.6 89.98 Favored Glycine 0 N--CA 1.484 1.84 0 C-N-CA 120.31 -0.947 . . . . 0.0 110.964 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.07 77.35 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.644 -1.503 . . . . 0.0 112.048 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.26 -38.73 90.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.726 -1.234 . . . . 0.0 111.632 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.26 -37.93 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.57 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 117.365 -1.734 . . . . 0.0 109.651 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.04 -34.95 75.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.987 -1.071 . . . . 0.0 111.391 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.21 79.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.724 -1.235 . . . . 0.0 109.328 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.71 -36.99 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.546 -0.721 . . . . 0.0 110.748 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.67 74.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.759 -1.213 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.04 -31.86 33.81 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 121.042 -1.036 . . . . 0.0 111.017 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.16 -34.59 60.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.707 -1.467 . . . . 0.0 110.062 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.15 -43.3 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 118.911 -1.116 . . . . 0.0 109.68 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.75 -31.26 69.48 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.695 -1.253 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.04 -21.04 19.31 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.37 -0.831 . . . . 0.0 112.6 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.32 -34.54 68.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.522 -1.362 . . . . 0.0 108.063 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.28 -32.6 70.17 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.922 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 C-N-CA 123.939 0.895 . . . . 0.0 112.277 175.408 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 121.368 0.604 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.21 -60.2 2.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 117.773 -1.571 . . . . 0.0 112.187 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -36.08 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.234 -1.541 . . . . 0.0 111.962 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.41 -35.46 91.05 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.72 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.56 -33.67 85.72 Favored Glycine 0 N--CA 1.482 1.711 0 O-C-N 121.221 -1.164 . . . . 0.0 112.728 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.45 -39.08 81.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.687 -1.478 . . . . 0.0 111.759 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.68 -42.42 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.21 -38.44 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.688 -1.257 . . . . 0.0 110.741 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.42 -38.74 88.51 Favored Glycine 0 N--CA 1.486 1.969 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.079 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.71 76.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.738 -1.448 . . . . 0.0 112.066 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.04 -37.45 82.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.993 -1.067 . . . . 0.0 111.788 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.13 -36.99 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.32 -37.98 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.998 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.46 -36.77 79.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.033 . . . . 0.0 111.972 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.51 77.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.72 -1.238 . . . . 0.0 110.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.64 -36.37 65.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 110.368 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.42 73.91 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.649 -1.282 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.77 -30.55 28.88 Favored Glycine 0 N--CA 1.492 2.398 0 O-C-N 120.76 -1.213 . . . . 0.0 111.133 -176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.63 -34.84 59.93 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.488 . . . . 0.0 109.981 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.85 -42.56 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 120.652 -1.28 . . . . 0.0 109.887 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.04 68.93 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.44 -1.413 . . . . 0.0 110.193 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.12 -22.41 16.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.173 -0.954 . . . . 0.0 112.25 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.97 -34.81 68.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.369 -1.457 . . . . 0.0 108.906 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.61 -33.76 70.38 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.513 0.673 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.342 -0.849 . . . . 0.0 111.666 176.825 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.322 0.582 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 -60.64 2.15 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 117.774 -1.57 . . . . 0.0 112.199 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.89 -35.66 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.457 -1.402 . . . . 0.0 111.99 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.19 -35.68 91.23 Favored Glycine 0 N--CA 1.49 2.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.934 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -33.72 83.1 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 121.147 -1.208 . . . . 0.0 112.609 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.46 -35.43 73.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.586 -1.538 . . . . 0.0 111.73 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.68 -42.72 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.1 -39.22 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.867 -1.146 . . . . 0.0 110.565 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.24 -38.83 88.48 Favored Glycine 0 N--CA 1.485 1.957 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.786 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.68 76.44 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.697 -1.473 . . . . 0.0 111.775 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.01 -36.85 84.95 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.679 -1.263 . . . . 0.0 111.606 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.87 -37.76 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.26 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 C-N-CA 117.74 -1.584 . . . . 0.0 109.796 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.66 -35.3 77.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 111.579 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.81 77.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.679 -1.263 . . . . 0.0 109.747 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.86 -36.89 69.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.557 -0.714 . . . . 0.0 110.646 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.79 75.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.544 -1.348 . . . . 0.0 109.98 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.89 -30.58 29.88 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 120.877 -1.139 . . . . 0.0 111.333 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.06 -32.85 62.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.588 -1.536 . . . . 0.0 109.589 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -52.86 -42.34 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 C-N-CA 119.08 -1.048 . . . . 0.0 109.696 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.59 -30.45 68.68 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.601 -1.312 . . . . 0.0 110.34 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.47 -21.65 17.31 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.411 -0.806 . . . . 0.0 112.185 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.3 -34.9 69.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.404 -1.435 . . . . 0.0 108.289 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -57.9 -33.78 69.12 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.624 0.725 . . . . 0.0 110.595 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.971 0 O-C-N 121.351 -0.843 . . . . 0.0 112.614 176.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -118.57 138.69 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.228 -1.16 . . . . 0.0 109.282 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -113.66 28.56 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.149 -0.969 . . . . 0.0 110.789 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -165.88 -45.18 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.461 -1.4 . . . . 0.0 111.414 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.21 -46.95 88.01 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 117.153 -1.819 . . . . 0.0 106.665 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -63.06 -26.03 68.65 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.874 0.869 . . . . 0.0 112.663 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.56 84.14 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.239 -1.385 . . . . 0.0 108.82 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -58.59 -35.57 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.001 -1.062 . . . . 0.0 110.914 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -66.78 -34.94 78.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.059 -1.651 . . . . 0.0 109.772 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.98 -46.66 82.05 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.672 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.19 90.98 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 117.867 -1.533 . . . . 0.0 108.704 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.39 -48.84 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 C-N-CA 118.532 -1.267 . . . . 0.0 108.331 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.74 -42.19 88.2 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 122.607 1.194 . . . . 0.0 108.634 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -107.79 46.88 0.92 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.797 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.08 -58.46 14.44 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.072 -2.011 . . . . 0.0 108.072 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 154.6 81.03 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.021 0 C-N-CA 123.671 0.788 . . . . 0.0 112.496 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.85 113.88 4.71 Favored Glycine 0 N--CA 1.498 2.784 0 O-C-N 119.472 -2.017 . . . . 0.0 108.22 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -178.03 85.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.271 -1.135 . . . . 0.0 109.644 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 58.22 -1.52 0.09 Allowed 'General case' 0 N--CA 1.509 2.475 0 O-C-N 120.006 -1.684 . . . . 0.0 112.794 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -63.35 -34.15 77.07 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.484 -1.385 . . . . 0.0 111.81 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -60.4 2.32 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 117.813 -1.555 . . . . 0.0 112.127 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.52 -35.51 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.426 -1.421 . . . . 0.0 111.805 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.96 91.45 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.991 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.6 83.1 Favored Glycine 0 N--CA 1.484 1.886 0 O-C-N 121.157 -1.201 . . . . 0.0 112.94 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.57 -35.82 73.28 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.502 -1.587 . . . . 0.0 111.885 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.84 -42.53 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.05 -39.37 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 120.925 -1.11 . . . . 0.0 110.673 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.79 -39.3 91.21 Favored Glycine 0 N--CA 1.487 2.055 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.384 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.6 76.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.627 -1.514 . . . . 0.0 111.817 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.84 -36.39 83.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.912 -1.117 . . . . 0.0 111.597 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.39 -36.73 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.971 -1.08 . . . . 0.0 113.358 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.28 -37.52 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.632 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.59 -35.42 77.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.817 -1.177 . . . . 0.0 111.865 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.537 -1.352 . . . . 0.0 109.81 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.54 -37.12 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.476 -0.765 . . . . 0.0 111.072 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 -34.52 74.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.633 -1.292 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.86 -31.14 31.02 Favored Glycine 0 N--CA 1.489 2.188 0 O-C-N 121.013 -1.054 . . . . 0.0 111.23 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.14 -35.14 61.9 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.598 -1.531 . . . . 0.0 110.177 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.01 -42.64 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 120.8 -1.188 . . . . 0.0 109.212 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.15 -31.53 70.18 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.548 -1.345 . . . . 0.0 110.166 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.1 -21.47 22.43 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.508 -0.745 . . . . 0.0 112.033 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.48 -34.85 69.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.416 -1.428 . . . . 0.0 108.334 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.05 -32.0 70.5 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.335 0.588 . . . . 0.0 110.657 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -59.15 -28.81 66.93 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.255 -0.903 . . . . 0.0 111.823 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 64.72 46.83 2.96 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.682 0.753 . . . . 0.0 109.671 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.114 -0.991 . . . . 0.0 110.1 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -119.24 138.26 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -1.11 . . . . 0.0 109.595 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -113.65 29.8 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.983 -1.073 . . . . 0.0 111.358 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -166.41 -42.72 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.414 -1.429 . . . . 0.0 110.732 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.45 -46.34 90.42 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 105.321 -2.103 . . . . 0.0 105.321 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -58.53 -29.74 66.55 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 124.355 1.062 . . . . 0.0 113.161 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.6 85.65 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.118 -1.433 . . . . 0.0 109.311 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -59.23 -36.14 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 C-N-CA 118.866 -1.134 . . . . 0.0 111.568 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.37 -33.89 77.02 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 119.875 -1.766 . . . . 0.0 110.341 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.39 -44.96 80.73 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.168 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.71 88.61 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.774 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -61.27 -47.85 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 C-N-CA 118.31 -1.356 . . . . 0.0 108.004 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -57.61 -42.17 82.72 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 122.389 1.09 . . . . 0.0 108.187 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -120.49 60.71 0.88 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.266 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -55.6 28.91 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 107.436 -2.266 . . . . 0.0 107.436 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 158.04 78.42 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.953 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.62 114.66 4.46 Favored Glycine 0 N--CA 1.5 2.922 0 O-C-N 119.228 -2.17 . . . . 0.0 108.953 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -178.97 84.67 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.279 -1.13 . . . . 0.0 108.594 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 54.92 -3.3 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.759 0 O-C-N 119.995 -1.69 . . . . 0.0 113.807 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -62.89 -34.84 78.25 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.454 -1.404 . . . . 0.0 111.251 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.92 -58.88 3.52 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.237 -1.385 . . . . 0.0 111.722 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.13 -35.82 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.252 -1.53 . . . . 0.0 111.065 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.14 -35.9 89.03 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.466 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.68 85.2 Favored Glycine 0 N--CA 1.484 1.9 0 O-C-N 121.179 -1.189 . . . . 0.0 112.783 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.16 -39.64 82.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.516 -1.579 . . . . 0.0 110.863 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.65 -42.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -70.93 -35.36 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.73 -1.231 . . . . 0.0 109.979 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.19 92.31 Favored Glycine 0 N--CA 1.484 1.853 0 C-N-CA 120.021 -1.085 . . . . 0.0 111.066 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.07 77.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.62 -1.518 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.45 -38.69 84.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.915 -1.115 . . . . 0.0 111.129 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.44 -37.16 79.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.246 -0.909 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.42 -45.06 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 118.525 -1.27 . . . . 0.0 109.703 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.48 -37.36 78.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.469 -0.769 . . . . 0.0 111.484 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.52 76.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.418 -1.426 . . . . 0.0 109.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.51 -36.88 67.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.502 -0.749 . . . . 0.0 111.007 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.09 75.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.538 -1.351 . . . . 0.0 110.604 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -31.62 37.7 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 121.017 -1.052 . . . . 0.0 111.548 -176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.29 63.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.39 -1.653 . . . . 0.0 110.128 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.6 -42.84 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 120.72 -1.238 . . . . 0.0 109.613 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.63 -31.48 69.54 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.518 -1.364 . . . . 0.0 109.725 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.75 -21.38 27.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.434 -0.791 . . . . 0.0 112.515 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -34.52 70.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.141 -1.6 . . . . 0.0 107.495 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.47 -34.47 70.91 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -62.1 -26.32 68.22 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.647 -1.283 . . . . 0.0 112.158 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.5 46.96 4.03 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 121.655 0.74 . . . . 0.0 109.563 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 120.942 -1.099 . . . . 0.0 110.165 -179.871 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -107.25 34.09 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.262 -1.14 . . . . 0.0 109.48 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -95.52 15.94 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.613 -0.679 . . . . 0.0 109.797 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 177.61 -23.16 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.611 -0.681 . . . . 0.0 111.602 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -61.12 -47.66 85.23 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 117.136 -1.825 . . . . 0.0 106.233 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.44 -29.54 67.85 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.246 1.018 . . . . 0.0 113.298 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.29 84.7 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 118.382 -1.327 . . . . 0.0 109.246 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.97 -35.59 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 120.722 -1.236 . . . . 0.0 110.517 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.55 -34.35 78.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.16 -1.587 . . . . 0.0 110.101 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.12 -46.96 82.22 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 118.956 -1.097 . . . . 0.0 109.201 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.93 86.56 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 117.608 -1.637 . . . . 0.0 108.635 -178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.31 -49.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 C-N-CA 118.496 -1.282 . . . . 0.0 108.673 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.15 -42.75 91.42 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-O 122.414 1.102 . . . . 0.0 108.727 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -110.07 53.04 0.7 Allowed 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.998 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.33 -56.83 11.9 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -136.2 -133.69 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.374 -1.074 . . . . 0.0 110.032 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.06 21.96 6.78 Favored Glycine 0 N--CA 1.501 3.011 0 O-C-N 120.713 -1.242 . . . . 0.0 111.542 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 109.06 -157.53 0.0 OUTLIER 'General case' 0 N--CA 1.533 3.676 0 C-N-CA 125.207 1.403 . . . . 0.0 110.853 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 42.46 -98.58 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 0.0 113.13 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.51 -34.36 76.74 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.906 -1.121 . . . . 0.0 112.088 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -60.88 2.0 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.37 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.83 -36.27 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.638 -1.289 . . . . 0.0 112.593 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -36.94 92.73 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.615 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.83 78.56 Favored Glycine 0 N--CA 1.482 1.72 0 O-C-N 121.342 -1.093 . . . . 0.0 112.727 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.35 -35.6 73.67 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.36 -1.67 . . . . 0.0 111.689 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.43 -43.51 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.07 -39.87 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.953 -1.092 . . . . 0.0 110.433 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.35 88.88 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.658 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.84 76.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.553 -1.557 . . . . 0.0 111.731 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -39.05 90.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.575 -1.328 . . . . 0.0 111.465 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.37 -37.81 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.2 -40.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 117.646 -1.622 . . . . 0.0 109.555 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.55 -37.02 77.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.114 -0.991 . . . . 0.0 111.556 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.22 78.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.833 -1.167 . . . . 0.0 109.811 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.28 -37.08 67.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.565 -0.71 . . . . 0.0 110.279 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.63 74.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.603 -1.31 . . . . 0.0 109.78 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.55 33.57 Favored Glycine 0 N--CA 1.493 2.488 0 O-C-N 120.836 -1.165 . . . . 0.0 110.866 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.32 -33.53 63.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.643 -1.504 . . . . 0.0 110.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.65 -43.11 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.641 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.18 69.07 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.256 -1.528 . . . . 0.0 110.486 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.17 -21.44 22.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.289 -0.882 . . . . 0.0 112.445 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.45 -35.23 71.82 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.092 -1.63 . . . . 0.0 108.775 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.51 -33.32 71.21 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 121.563 0.697 . . . . 0.0 109.297 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -58.22 -28.44 64.84 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.966 -1.084 . . . . 0.0 111.841 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 64.81 46.18 3.08 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.77 0.795 . . . . 0.0 109.39 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 0.0 110.166 -179.831 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -128.33 128.53 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.041 -1.27 . . . . 0.0 109.447 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -136.54 146.33 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.267 -1.52 . . . . 0.0 110.798 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 178.21 -47.42 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.956 -1.09 . . . . 0.0 109.645 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.55 -42.58 71.11 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.57 -42.73 79.1 Favored 'General case' 0 C--N 1.293 -1.866 0 C-N-CA 118.038 -1.465 . . . . 0.0 107.934 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.76 98.45 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.528 0.68 . . . . 0.0 110.529 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.15 -31.29 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.657 -175.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -63.54 -34.35 77.61 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 120.445 -1.409 . . . . 0.0 109.626 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.03 -47.82 79.98 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.271 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.06 -45.63 93.97 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.594 -1.642 . . . . 0.0 108.25 -178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.7 -48.97 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 118.857 -1.137 . . . . 0.0 108.618 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.81 -43.26 94.6 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-O 122.434 1.111 . . . . 0.0 109.13 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -107.83 47.1 0.91 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.987 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -64.44 -64.11 3.83 Favored Glycine 0 N--CA 1.487 2.096 0 C-N-CA 119.301 -1.428 . . . . 0.0 111.024 -178.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 179.64 -46.11 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.917 -0.755 . . . . 0.0 111.821 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 39.21 78.8 0.05 OUTLIER Glycine 0 N--CA 1.507 3.403 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 102.53 -153.41 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.075 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 43.08 -92.87 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 119.885 -1.759 . . . . 0.0 114.826 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -63.08 -34.61 77.96 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 120.764 -1.21 . . . . 0.0 112.327 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -60.23 2.42 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.243 -1.783 . . . . 0.0 111.912 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.78 -36.14 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.609 -1.307 . . . . 0.0 112.397 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.57 -37.62 93.66 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.391 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.83 -33.75 79.61 Favored Glycine 0 N--CA 1.482 1.746 0 O-C-N 121.284 -1.127 . . . . 0.0 112.835 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.08 -39.38 82.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.454 -1.615 . . . . 0.0 111.212 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.47 -43.39 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.08 -39.78 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.672 -1.267 . . . . 0.0 110.424 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.8 -39.37 87.35 Favored Glycine 0 N--CA 1.485 1.919 0 C-N-CA 120.115 -1.04 . . . . 0.0 110.591 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.69 76.37 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 120.684 -1.48 . . . . 0.0 111.721 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.95 -39.17 91.19 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.634 -1.291 . . . . 0.0 111.353 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.99 -37.5 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -67.68 -39.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.591 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.18 -35.26 76.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.237 -0.915 . . . . 0.0 111.788 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.61 80.57 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.697 -1.252 . . . . 0.0 109.747 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.92 -37.06 70.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.634 -0.666 . . . . 0.0 110.572 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.28 74.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 109.561 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.03 -31.51 33.02 Favored Glycine 0 N--CA 1.495 2.567 0 O-C-N 121.035 -1.041 . . . . 0.0 110.66 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.77 -34.38 58.87 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.931 -1.335 . . . . 0.0 109.387 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.03 -43.48 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.845 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.5 -31.38 69.31 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.42 -1.425 . . . . 0.0 110.613 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.34 -21.02 21.77 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.301 -0.874 . . . . 0.0 112.912 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -58.14 -35.11 71.05 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.018 -1.676 . . . . 0.0 108.745 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.27 -33.22 70.79 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -57.94 -29.02 64.83 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.873 -1.142 . . . . 0.0 112.147 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 59.18 -78.06 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 122.102 -0.374 . . . . 0.0 111.773 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 O-C-N 120.573 -1.329 . . . . 0.0 110.641 -179.462 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -105.38 41.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.228 -1.16 . . . . 0.0 109.805 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -103.5 14.42 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.405 -0.81 . . . . 0.0 110.072 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -178.94 -25.92 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.514 -0.741 . . . . 0.0 111.277 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.62 -47.1 87.74 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.01 -29.65 67.41 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.6 84.54 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 118.139 -1.425 . . . . 0.0 109.276 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.98 -35.46 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 120.648 -1.282 . . . . 0.0 111.425 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.75 -33.65 76.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 119.976 -1.703 . . . . 0.0 111.459 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -58.4 -41.17 84.33 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 117.783 -1.567 . . . . 0.0 108.229 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.12 84.94 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 117.855 -1.538 . . . . 0.0 108.807 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.38 -48.07 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 C-N-CA 118.559 -1.256 . . . . 0.0 107.685 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.1 -42.58 85.98 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 122.296 1.046 . . . . 0.0 108.741 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -117.69 54.33 0.9 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.868 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.19 -54.26 28.28 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -132.99 -139.78 0.19 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.596 -0.943 . . . . 0.0 111.649 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.52 16.71 9.21 Favored Glycine 0 N--CA 1.495 2.589 0 O-C-N 120.84 -1.163 . . . . 0.0 111.391 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 111.29 -150.67 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.343 0 C-N-CA 124.739 1.216 . . . . 0.0 109.766 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 39.0 -103.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.149 -0.97 . . . . 0.0 113.483 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.78 -34.65 77.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.581 -1.325 . . . . 0.0 113.158 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.68 2.13 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 117.501 -1.68 . . . . 0.0 112.835 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.73 -35.19 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.485 -1.384 . . . . 0.0 112.553 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.32 93.0 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.946 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.94 83.62 Favored Glycine 0 N--CA 1.481 1.67 0 O-C-N 121.117 -1.225 . . . . 0.0 112.696 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.28 -39.91 82.0 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.569 -1.547 . . . . 0.0 111.54 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.98 -42.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.6 -40.06 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 120.782 -1.199 . . . . 0.0 110.081 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.71 -39.5 91.33 Favored Glycine 0 N--CA 1.486 1.99 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.349 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.88 -33.88 76.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.537 -1.566 . . . . 0.0 111.987 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.38 -38.64 87.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.89 -1.131 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.31 -37.27 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.46 -38.42 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 117.477 -1.689 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.07 -36.91 78.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.819 -1.176 . . . . 0.0 111.195 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.2 -35.21 78.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.472 -1.393 . . . . 0.0 109.86 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.4 -37.26 68.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.513 -0.742 . . . . 0.0 110.584 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.94 -34.76 75.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.61 -1.306 . . . . 0.0 110.219 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.09 -31.71 33.85 Favored Glycine 0 N--CA 1.492 2.396 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.58 -34.66 62.3 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.703 -1.469 . . . . 0.0 110.046 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.19 -43.39 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 120.897 -1.127 . . . . 0.0 109.375 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.93 -31.16 69.58 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.583 -1.323 . . . . 0.0 110.161 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -21.25 20.91 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.412 -0.805 . . . . 0.0 112.219 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.86 -34.67 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.438 -1.413 . . . . 0.0 108.071 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.64 -32.41 71.57 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.089 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.54 -27.14 68.4 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.132 -0.98 . . . . 0.0 111.613 176.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 56.66 -82.46 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.901 -0.499 . . . . 0.0 111.586 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 O-C-N 120.439 -1.413 . . . . 0.0 110.346 -179.878 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . 57.42 23.72 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.243 -1.151 . . . . 0.0 109.78 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -101.83 14.82 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.558 -0.714 . . . . 0.0 109.843 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -179.48 -24.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.575 -0.703 . . . . 0.0 111.223 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.57 -47.3 86.78 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.09 -29.56 67.45 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 123.984 0.913 . . . . 0.0 113.371 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.52 84.63 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 118.11 -1.436 . . . . 0.0 109.258 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -59.06 -35.77 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.81 -1.181 . . . . 0.0 111.575 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.86 -34.25 77.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 119.89 -1.756 . . . . 0.0 110.148 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.45 -46.11 80.49 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.862 -1.135 . . . . 0.0 108.681 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.1 -46.22 91.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.01 -1.476 . . . . 0.0 108.849 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.67 -48.53 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 C-N-CA 118.267 -1.373 . . . . 0.0 108.378 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.69 -42.89 94.0 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 122.446 1.117 . . . . 0.0 109.093 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -109.47 45.93 1.04 Allowed 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.185 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -58.26 -57.45 19.75 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 107.7 -2.16 . . . . 0.0 107.7 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 153.8 81.39 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.004 0 C-N-CA 123.566 0.746 . . . . 0.0 112.158 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.17 113.78 4.72 Favored Glycine 0 N--CA 1.497 2.74 0 O-C-N 119.56 -1.963 . . . . 0.0 108.326 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -177.48 85.07 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.294 -1.121 . . . . 0.0 109.45 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 57.85 0.28 0.11 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.126 -1.609 . . . . 0.0 113.073 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.29 -35.45 79.07 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.4 -1.438 . . . . 0.0 111.989 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.83 -59.98 2.59 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 118.096 -1.441 . . . . 0.0 112.275 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.25 -35.44 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.298 -1.501 . . . . 0.0 111.877 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.15 90.75 Favored Glycine 0 N--CA 1.488 2.137 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.885 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.9 86.12 Favored Glycine 0 N--CA 1.484 1.89 0 O-C-N 121.132 -1.216 . . . . 0.0 112.919 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -39.53 81.26 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.473 -1.604 . . . . 0.0 111.248 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.7 -42.36 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.97 -39.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.84 -1.163 . . . . 0.0 110.212 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.2 90.44 Favored Glycine 0 N--CA 1.486 1.987 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.387 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.42 -33.72 76.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.339 -1.683 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.88 -39.27 88.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.079 . . . . 0.0 112.495 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.79 -32.63 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.874 -1.141 . . . . 0.0 112.179 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.43 -45.33 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.458 -1.401 . . . . 0.0 109.283 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.45 -35.11 76.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.697 -0.627 . . . . 0.0 111.954 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.88 77.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.521 -1.362 . . . . 0.0 109.443 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.98 -36.94 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.978 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -34.9 75.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.624 -1.297 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -31.17 33.73 Favored Glycine 0 N--CA 1.49 2.289 0 O-C-N 121.143 -0.973 . . . . 0.0 111.334 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.65 -33.28 63.93 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.548 -1.56 . . . . 0.0 110.055 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.32 -42.31 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 120.79 -1.194 . . . . 0.0 109.279 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.66 -30.72 68.94 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.596 -1.315 . . . . 0.0 109.91 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.95 -21.21 19.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.328 -0.858 . . . . 0.0 112.173 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.87 -34.42 67.82 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.45 -1.406 . . . . 0.0 108.107 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.67 -32.03 71.24 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.107 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.79 -27.02 68.46 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.081 -1.012 . . . . 0.0 111.62 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.44 46.33 4.38 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.635 0.731 . . . . 0.0 109.702 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 120.94 -1.1 . . . . 0.0 110.137 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -108.97 24.81 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -1.163 . . . . 0.0 110.231 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -98.24 26.23 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -172.22 -34.28 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.456 -0.777 . . . . 0.0 111.151 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -62.56 -47.95 81.6 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 117.074 -1.851 . . . . 0.0 106.169 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -60.58 -30.47 69.82 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.86 92.15 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.191 -1.404 . . . . 0.0 109.822 -177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -62.06 -35.31 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 120.932 -1.105 . . . . 0.0 112.48 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -68.37 -35.8 78.25 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 119.787 -1.821 . . . . 0.0 110.227 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.99 -47.13 83.92 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.758 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.68 81.49 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.882 -1.527 . . . . 0.0 109.812 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -62.76 -50.46 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 C-N-CA 117.894 -1.522 . . . . 0.0 108.959 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -61.53 -45.07 95.75 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 122.115 0.96 . . . . 0.0 109.794 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -85.47 72.48 10.64 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.544 -0.862 . . . . 0.0 111.661 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.49 -47.12 91.75 Favored Glycine 0 N--CA 1.489 2.182 0 C-N-CA 117.695 -2.193 . . . . 0.0 107.867 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -71.05 109.16 4.97 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.833 1.302 . . . . 0.0 113.295 -173.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.4 -174.5 41.83 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -79.02 88.43 4.79 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 176.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 57.74 -5.36 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.522 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -61.88 -35.7 79.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.418 -1.426 . . . . 0.0 112.107 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.42 -59.46 2.98 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.051 -1.46 . . . . 0.0 112.295 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.93 -35.35 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.355 -1.466 . . . . 0.0 111.96 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.37 -36.33 90.77 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.896 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.03 -33.96 86.04 Favored Glycine 0 N--CA 1.486 1.997 0 O-C-N 121.092 -1.24 . . . . 0.0 113.114 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.15 -39.88 82.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.571 -1.547 . . . . 0.0 111.345 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.03 -42.64 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.68 -39.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.683 -1.26 . . . . 0.0 110.375 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.88 -39.62 91.9 Favored Glycine 0 N--CA 1.486 1.997 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.221 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.19 77.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.566 -1.55 . . . . 0.0 112.289 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.77 -37.03 82.79 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.043 . . . . 0.0 110.9 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.3 -37.27 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.091 -1.006 . . . . 0.0 112.165 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.42 -45.41 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.879 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.4 -35.61 77.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.498 -0.751 . . . . 0.0 112.252 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.05 77.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.372 -1.455 . . . . 0.0 109.357 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.84 -37.19 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.552 -0.717 . . . . 0.0 111.181 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.441 -1.412 . . . . 0.0 110.383 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.53 35.53 Favored Glycine 0 N--CA 1.491 2.315 0 O-C-N 121.11 -0.994 . . . . 0.0 111.26 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.74 -33.48 64.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.495 -1.591 . . . . 0.0 110.229 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.17 -42.43 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 120.687 -1.258 . . . . 0.0 109.198 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -60.02 -31.02 69.56 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.56 -1.338 . . . . 0.0 110.076 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.7 -22.7 24.73 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.846 0.858 . . . . 0.0 112.527 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.45 -34.28 68.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.529 -1.357 . . . . 0.0 108.037 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -60.48 -32.07 71.06 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.048 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.89 -26.91 68.44 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.279 -0.888 . . . . 0.0 111.572 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 54.16 -84.95 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.926 -0.484 . . . . 0.0 111.539 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.745 0 O-C-N 120.362 -1.461 . . . . 0.0 110.493 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -114.77 17.33 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -1.112 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -132.77 146.41 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.796 -1.19 . . . . 0.0 110.097 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -176.55 -51.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.002 -1.061 . . . . 0.0 108.249 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.72 -42.49 71.6 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.59 -42.72 79.18 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 117.721 -1.592 . . . . 0.0 107.638 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.72 98.06 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -57.37 -31.42 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.684 -175.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -63.18 -33.78 76.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.376 -1.453 . . . . 0.0 109.64 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.86 -46.7 81.62 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 118.743 -1.183 . . . . 0.0 109.159 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.1 91.89 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 117.719 -1.593 . . . . 0.0 108.245 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.24 -48.09 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 C-N-CA 118.579 -1.248 . . . . 0.0 108.086 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.52 -42.74 88.42 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 122.147 0.975 . . . . 0.0 108.719 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -118.48 58.55 0.83 Allowed 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.998 0.904 . . . . 0.0 109.604 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.38 -63.56 3.2 Favored Glycine 0 N--CA 1.484 1.854 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 179.75 -46.89 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.85 -0.794 . . . . 0.0 111.739 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 42.56 77.18 0.09 OUTLIER Glycine 0 N--CA 1.503 3.126 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 103.81 -147.54 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.068 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 42.61 -95.09 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.054 -1.654 . . . . 0.0 114.814 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.58 -35.63 80.1 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.743 -1.223 . . . . 0.0 112.136 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.28 2.44 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 117.598 -1.641 . . . . 0.0 112.093 -177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.31 -33.19 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.444 -1.41 . . . . 0.0 111.728 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -36.97 93.51 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.984 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -34.11 85.78 Favored Glycine 0 N--CA 1.481 1.687 0 O-C-N 121.139 -1.212 . . . . 0.0 112.983 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -71.06 -36.65 72.36 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.41 -1.641 . . . . 0.0 111.928 177.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.21 -42.19 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -66.89 -37.73 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.185 -0.947 . . . . 0.0 109.98 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.39 -38.16 77.9 Favored Glycine 0 N--CA 1.486 1.979 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.121 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.72 76.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.428 -1.631 . . . . 0.0 112.918 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.03 -37.09 85.8 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.779 -1.201 . . . . 0.0 112.827 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.3 -33.28 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.243 -1.536 . . . . 0.0 111.695 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -63.62 -46.23 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.387 -1.446 . . . . 0.0 109.654 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.78 -37.49 79.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.642 -0.661 . . . . 0.0 112.166 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.36 -34.81 77.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.519 -1.363 . . . . 0.0 109.666 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.77 -37.09 69.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.555 -0.716 . . . . 0.0 110.704 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.94 75.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.457 -1.402 . . . . 0.0 110.139 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.85 -31.27 31.17 Favored Glycine 0 N--CA 1.491 2.362 0 O-C-N 120.968 -1.082 . . . . 0.0 110.735 -176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.93 -35.01 61.23 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.81 -1.406 . . . . 0.0 109.964 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.38 -42.89 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 120.847 -1.158 . . . . 0.0 109.695 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.85 -31.2 69.54 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.459 -1.4 . . . . 0.0 110.381 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.63 -22.26 21.81 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 112.626 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.36 -34.54 68.91 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.4 -1.438 . . . . 0.0 108.29 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.45 -34.03 70.38 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.296 0.57 . . . . 0.0 111.399 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.84 -26.26 68.02 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.876 0.87 . . . . 0.0 111.707 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.71 -37.11 70.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.586 -0.696 . . . . 0.0 110.588 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.024 -1.047 . . . . 0.0 110.396 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -111.04 16.95 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.169 -1.194 . . . . 0.0 110.436 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -133.09 147.74 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.67 -1.269 . . . . 0.0 110.443 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 175.92 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.84 -42.7 72.28 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 118.758 -1.177 . . . . 0.0 108.035 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.49 -42.69 78.71 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 117.936 -1.506 . . . . 0.0 107.6 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.13 99.33 Favored 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.566 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -58.38 -31.34 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 C-N-CA 119.624 -0.83 . . . . 0.0 111.166 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -64.6 -34.18 77.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.376 -1.453 . . . . 0.0 109.829 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.24 -47.09 82.24 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 118.875 -1.13 . . . . 0.0 109.59 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.54 93.77 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 117.816 -1.553 . . . . 0.0 108.31 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -58.93 -48.31 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 C-N-CA 118.692 -1.203 . . . . 0.0 107.982 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.06 -42.74 91.04 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 122.519 1.152 . . . . 0.0 108.566 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -107.22 48.1 0.86 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.409 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -60.64 8.09 Favored Glycine 0 N--CA 1.486 2.029 0 C-N-CA 118.172 -1.966 . . . . 0.0 108.991 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 170.53 -36.9 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 CA-C-O 121.338 0.589 . . . . 0.0 111.272 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 40.45 81.75 0.02 OUTLIER Glycine 0 N--CA 1.504 3.199 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 106.89 -154.87 0.0 OUTLIER 'General case' 0 N--CA 1.528 3.43 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 43.74 -87.67 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 119.847 -1.783 . . . . 0.0 115.652 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -61.78 -36.66 81.71 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.941 -1.1 . . . . 0.0 112.385 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 -60.02 2.56 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 117.476 -1.69 . . . . 0.0 111.44 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.98 -36.25 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.498 -1.376 . . . . 0.0 112.182 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.69 -37.05 92.9 Favored Glycine 0 N--CA 1.49 2.292 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.919 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.51 -33.87 83.35 Favored Glycine 0 N--CA 1.483 1.778 0 O-C-N 121.171 -1.194 . . . . 0.0 112.692 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.49 -40.11 81.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.53 -1.57 . . . . 0.0 111.442 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.26 -42.86 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.56 -39.69 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 120.759 -1.213 . . . . 0.0 110.106 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.56 -39.78 91.41 Favored Glycine 0 N--CA 1.484 1.85 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.085 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.92 76.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.522 -1.576 . . . . 0.0 111.88 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.9 -38.94 90.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.659 -1.275 . . . . 0.0 111.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.78 -37.87 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.38 -40.02 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 117.688 -1.605 . . . . 0.0 109.443 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.51 -35.29 77.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.986 -1.071 . . . . 0.0 111.502 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.99 78.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.583 -1.323 . . . . 0.0 109.418 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -60.2 -36.72 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.612 -0.68 . . . . 0.0 110.751 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.48 74.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.639 -1.288 . . . . 0.0 110.083 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.82 -31.01 30.45 Favored Glycine 0 N--CA 1.495 2.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.991 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.33 -34.96 62.13 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.456 -1.614 . . . . 0.0 110.748 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -54.41 -39.26 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 C-N-CA 118.172 -1.411 . . . . 0.0 109.057 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.65 -30.94 69.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.543 -1.348 . . . . 0.0 109.691 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.72 -21.54 19.17 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.363 -0.836 . . . . 0.0 112.321 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.02 -34.63 68.37 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.46 -1.4 . . . . 0.0 108.214 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.56 -32.61 70.51 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.334 0.588 . . . . 0.0 110.891 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -59.39 -28.93 67.34 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.319 -0.863 . . . . 0.0 112.23 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.88 46.73 3.78 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.601 0.715 . . . . 0.0 109.626 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.057 . . . . 0.0 110.153 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -177.83 -40.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.39 -1.065 . . . . 0.0 110.142 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -101.68 6.35 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.277 -0.889 . . . . 0.0 109.981 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -74.32 -73.27 0.24 Allowed 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.856 -1.153 . . . . 0.0 111.47 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -70.36 -34.42 72.6 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 122.269 1.033 . . . . 0.0 112.621 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -58.94 -51.57 69.47 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.82 -1.152 . . . . 0.0 112.342 -174.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.11 74.14 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 116.596 -2.042 . . . . 0.0 109.835 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -67.58 -47.87 78.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 116.703 -1.999 . . . . 0.0 109.448 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -61.08 -47.38 86.6 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 117.238 -1.785 . . . . 0.0 109.719 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -59.45 -47.31 85.96 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.521 -1.671 . . . . 0.0 108.531 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -64.36 -49.46 71.55 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.321 -1.352 . . . . 0.0 110.06 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -64.06 -50.71 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 C-N-CA 117.926 -1.51 . . . . 0.0 109.954 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -60.24 -44.19 95.46 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 122.104 0.954 . . . . 0.0 109.538 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -116.85 48.54 1.29 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.331 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -61.99 -53.78 40.21 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 106.0 -2.84 . . . . 0.0 106.0 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -177.5 -22.01 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 123.448 0.699 . . . . 0.0 109.259 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.34 32.69 8.08 Favored Glycine 0 N--CA 1.492 2.432 0 O-C-N 121.237 -0.914 . . . . 0.0 111.335 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 94.36 -24.69 0.04 OUTLIER 'General case' 0 N--CA 1.518 2.967 0 C-N-CA 125.021 1.329 . . . . 0.0 110.828 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -54.91 -39.15 68.5 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.754 -1.178 . . . . 0.0 109.026 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.34 -35.42 79.04 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.166 -0.959 . . . . 0.0 111.341 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.49 -59.85 2.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.317 -1.353 . . . . 0.0 112.232 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.47 -34.91 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.533 -1.354 . . . . 0.0 111.767 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -36.76 91.98 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.894 -178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.34 -34.01 83.13 Favored Glycine 0 N--CA 1.483 1.772 0 O-C-N 121.019 -1.283 . . . . 0.0 112.997 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.1 -35.84 74.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.314 -1.698 . . . . 0.0 111.341 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.4 -41.95 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.877 -0.515 . . . . 0.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.69 -39.71 82.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 120.899 -1.126 . . . . 0.0 109.995 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.12 -39.31 89.64 Favored Glycine 0 N--CA 1.484 1.881 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.298 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -33.97 76.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.356 -1.673 . . . . 0.0 112.564 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.34 -39.27 86.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.942 -1.099 . . . . 0.0 112.343 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -69.45 -32.82 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 120.958 -1.089 . . . . 0.0 111.967 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.76 -45.6 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.506 -1.371 . . . . 0.0 109.15 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -59.74 -37.02 77.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.538 -0.726 . . . . 0.0 112.099 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.71 75.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.745 -1.222 . . . . 0.0 109.471 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.5 -36.66 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.599 -0.688 . . . . 0.0 111.06 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.23 74.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.43 -1.419 . . . . 0.0 110.463 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -31.47 32.57 Favored Glycine 0 N--CA 1.494 2.517 0 O-C-N 120.957 -1.089 . . . . 0.0 111.137 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.37 -35.45 62.81 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.519 -1.577 . . . . 0.0 110.149 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.67 -43.36 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.993 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -56.26 -35.56 67.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.062 -1.024 . . . . 0.0 109.951 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.44 -22.35 20.08 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.408 -0.808 . . . . 0.0 112.177 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.64 -34.52 69.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.379 -1.451 . . . . 0.0 108.075 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -61.18 -32.42 72.17 Favored 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.234 0.54 . . . . 0.0 111.093 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -61.09 -27.77 68.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.269 -0.895 . . . . 0.0 111.188 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 55.69 -83.12 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.936 -0.477 . . . . 0.0 111.608 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 N--CA 1.494 1.737 0 O-C-N 120.497 -1.377 . . . . 0.0 110.319 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -136.64 138.39 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.31 -1.112 . . . . 0.0 110.995 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -134.21 144.58 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 0.0 109.068 173.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -178.3 -36.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.962 -1.086 . . . . 0.0 110.864 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -61.0 -46.83 89.17 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -58.62 -29.81 66.78 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.32 84.88 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 118.27 -1.372 . . . . 0.0 109.672 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -57.84 -35.66 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.796 -1.19 . . . . 0.0 111.738 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -64.32 -33.24 75.39 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 119.917 -1.739 . . . . 0.0 110.258 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.02 -45.38 79.15 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.422 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.67 89.41 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 118.156 -1.418 . . . . 0.0 108.66 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.52 -47.12 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -56.78 -41.65 78.06 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -124.44 60.05 1.17 Allowed 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.62 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.1 -54.29 25.13 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -101.13 -179.79 4.14 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 121.894 0.854 . . . . 0.0 112.818 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.9 -0.3 21.23 Favored Glycine 0 N--CA 1.493 2.447 0 CA-C-O 118.189 -1.34 . . . . 0.0 112.44 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 107.1 148.24 0.01 OUTLIER 'General case' 0 N--CA 1.535 3.778 0 CA-C-N 118.515 1.158 . . . . 0.0 107.985 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 62.11 -2.08 0.34 Allowed 'General case' 0 N--CA 1.513 2.695 0 O-C-N 120.927 -1.108 . . . . 0.0 113.244 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.74 -33.91 76.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.498 -1.376 . . . . 0.0 111.737 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.54 -60.19 2.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 117.667 -1.613 . . . . 0.0 112.037 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.84 -35.95 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.396 -1.44 . . . . 0.0 112.015 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.74 90.93 Favored Glycine 0 N--CA 1.489 2.211 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.185 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.79 84.2 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 121.157 -1.202 . . . . 0.0 112.902 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.36 -35.84 73.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.5 -1.588 . . . . 0.0 111.816 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -64.13 -42.43 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.04 -39.38 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 120.891 -1.131 . . . . 0.0 110.387 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.97 -39.87 92.47 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.151 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.26 77.15 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.422 -1.634 . . . . 0.0 112.566 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.03 -39.42 92.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.738 -1.226 . . . . 0.0 111.92 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -70.59 -33.46 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.954 -1.091 . . . . 0.0 112.451 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.4 -44.86 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.55 -1.344 . . . . 0.0 109.307 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.29 -34.47 75.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.724 -0.61 . . . . 0.0 111.935 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.86 74.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.557 -1.339 . . . . 0.0 109.63 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.65 -36.48 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.498 -0.751 . . . . 0.0 110.849 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.6 74.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.573 -1.329 . . . . 0.0 110.314 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.83 -30.73 29.82 Favored Glycine 0 N--CA 1.492 2.397 0 O-C-N 121.019 -1.051 . . . . 0.0 111.01 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.49 -35.07 62.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.491 -1.593 . . . . 0.0 110.526 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.3 -41.96 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.622 -1.299 . . . . 0.0 109.359 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.73 -31.18 69.39 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.64 -1.287 . . . . 0.0 109.759 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.94 -21.55 21.35 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.388 -0.82 . . . . 0.0 112.414 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.67 -34.55 69.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.319 -1.488 . . . . 0.0 108.315 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.91 -32.4 70.72 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.243 0.545 . . . . 0.0 110.468 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -59.43 -28.96 67.42 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.281 -0.887 . . . . 0.0 112.156 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 63.88 46.56 3.86 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.555 0.693 . . . . 0.0 109.811 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.675 0 O-C-N 120.956 -1.09 . . . . 0.0 110.025 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -129.2 131.04 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.123 -1.222 . . . . 0.0 108.865 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -125.21 130.19 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.285 -1.509 . . . . 0.0 108.441 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -168.73 -50.78 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 119.95 -1.718 . . . . 0.0 108.865 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -54.85 -42.62 72.19 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.572 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -56.39 -42.88 78.66 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 117.735 -1.586 . . . . 0.0 107.656 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.23 98.34 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.315 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.98 -31.69 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.139 -0.976 . . . . 0.0 110.651 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -63.48 -34.32 77.52 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.458 -1.401 . . . . 0.0 110.488 175.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -58.7 -41.99 87.56 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 117.711 -1.596 . . . . 0.0 108.393 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.61 -45.66 93.15 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 117.876 -1.53 . . . . 0.0 108.114 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -60.45 -48.07 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 C-N-CA 118.439 -1.304 . . . . 0.0 108.112 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.9 -43.1 95.04 Favored 'General case' 0 N--CA 1.505 2.276 0 CA-C-O 122.474 1.13 . . . . 0.0 109.676 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -111.26 43.92 1.4 Allowed 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.899 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -59.61 -61.12 7.59 Favored Glycine 0 N--CA 1.486 2.015 0 C-N-CA 118.087 -2.006 . . . . 0.0 109.072 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 160.04 76.36 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.849 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.62 113.87 4.62 Favored Glycine 0 N--CA 1.496 2.694 0 O-C-N 119.534 -1.979 . . . . 0.0 109.087 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . -177.86 84.76 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.272 -1.134 . . . . 0.0 109.894 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 56.57 -2.94 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.553 0 O-C-N 119.859 -1.776 . . . . 0.0 113.63 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -62.82 -34.72 77.9 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.338 -1.476 . . . . 0.0 111.396 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.05 -59.37 3.08 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 118.102 -1.439 . . . . 0.0 111.693 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -69.88 -35.41 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.198 -1.564 . . . . 0.0 111.153 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.32 89.09 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.926 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.81 -33.7 86.18 Favored Glycine 0 N--CA 1.484 1.867 0 O-C-N 121.122 -1.223 . . . . 0.0 112.912 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.24 -39.3 82.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.673 -1.487 . . . . 0.0 111.377 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.63 -41.69 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.78 -38.82 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.777 -1.202 . . . . 0.0 110.431 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.02 -39.01 91.33 Favored Glycine 0 N--CA 1.485 1.964 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.596 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.528 -1.572 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -60.39 -38.15 83.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.104 -0.997 . . . . 0.0 111.334 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.53 -36.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.197 -0.939 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.806 -1.184 . . . . 0.0 109.73 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.68 -35.35 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.4 -0.812 . . . . 0.0 112.219 -178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.21 75.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.49 -1.381 . . . . 0.0 109.502 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.95 -36.51 67.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.634 -0.666 . . . . 0.0 111.252 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.0 74.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.478 -1.389 . . . . 0.0 110.5 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.23 -30.77 32.83 Favored Glycine 0 N--CA 1.493 2.433 0 O-C-N 120.965 -1.084 . . . . 0.0 111.874 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.42 -33.2 63.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.327 -1.69 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.44 -42.01 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.809 -1.182 . . . . 0.0 109.73 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.67 -30.99 69.15 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.671 -1.268 . . . . 0.0 110.205 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.08 -23.12 31.9 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.532 0.733 . . . . 0.0 112.669 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.05 -34.56 68.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.41 -1.431 . . . . 0.0 107.631 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.18 -34.5 72.19 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.358 0.663 . . . . 0.0 109.977 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -61.62 -27.17 68.47 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.731 -1.231 . . . . 0.0 111.928 176.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 54.56 -81.14 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.123 0 CA-C-O 120.731 0.301 . . . . 0.0 111.447 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 120.811 -1.18 . . . . 0.0 110.071 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -115.81 133.47 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.194 -1.18 . . . . 0.0 109.477 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -136.31 152.44 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.326 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -131.77 -125.16 0.19 Allowed 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -49.54 -35.58 20.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.561 -1.337 . . . . 0.0 110.969 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -55.87 -29.02 59.26 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 119.306 -2.121 . . . . 0.0 109.978 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.48 -36.12 66.27 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -54.68 -30.91 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -61.96 -33.87 75.09 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.798 -1.189 . . . . 0.0 110.127 174.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.33 -46.24 79.98 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.993 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.15 91.71 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 118.057 -1.457 . . . . 0.0 108.375 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.59 -48.66 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 C-N-CA 118.77 -1.172 . . . . 0.0 108.19 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -58.16 -42.49 86.07 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 122.434 1.112 . . . . 0.0 108.542 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -114.36 57.25 0.7 Allowed 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.925 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.34 -57.33 10.55 Favored Glycine 0 N--CA 1.485 1.954 0 N-CA-C 108.187 -1.965 . . . . 0.0 108.187 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -131.74 -135.72 0.19 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.485 -1.009 . . . . 0.0 110.387 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.99 16.26 7.42 Favored Glycine 0 N--CA 1.502 3.09 0 O-C-N 120.679 -1.263 . . . . 0.0 111.647 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 110.07 -152.77 0.0 OUTLIER 'General case' 0 N--CA 1.525 3.281 0 C-N-CA 124.773 1.229 . . . . 0.0 109.681 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 41.38 -100.5 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.901 -1.124 . . . . 0.0 113.238 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -62.3 -34.15 76.03 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.679 -1.263 . . . . 0.0 112.345 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.07 -60.69 2.14 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.658 -1.617 . . . . 0.0 112.421 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -35.4 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.624 -1.297 . . . . 0.0 112.529 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.94 94.03 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.499 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.85 -33.87 80.23 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.068 -1.254 . . . . 0.0 112.874 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.22 -39.87 82.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.42 -1.635 . . . . 0.0 111.505 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.15 -43.05 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -67.89 -40.07 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 120.673 -1.267 . . . . 0.0 110.126 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.06 -39.6 89.98 Favored Glycine 0 N--CA 1.484 1.84 0 C-N-CA 120.31 -0.947 . . . . 0.0 110.964 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.07 77.35 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.644 -1.503 . . . . 0.0 112.048 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -62.26 -38.73 90.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.726 -1.234 . . . . 0.0 111.632 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.26 -37.93 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.57 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 117.365 -1.734 . . . . 0.0 109.651 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.04 -34.95 75.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.987 -1.071 . . . . 0.0 111.391 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.21 79.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.724 -1.235 . . . . 0.0 109.328 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.71 -36.99 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.546 -0.721 . . . . 0.0 110.748 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.67 74.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.759 -1.213 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.04 -31.86 33.81 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 121.042 -1.036 . . . . 0.0 111.017 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -54.16 -34.59 60.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.707 -1.467 . . . . 0.0 110.062 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.15 -43.3 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 118.911 -1.116 . . . . 0.0 109.68 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.75 -31.26 69.48 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.695 -1.253 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -56.04 -21.04 19.31 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.37 -0.831 . . . . 0.0 112.6 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.32 -34.54 68.84 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.522 -1.362 . . . . 0.0 108.063 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -59.28 -32.6 70.17 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.922 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' ALA . . . -59.71 -28.76 67.6 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.939 0.895 . . . . 0.0 112.277 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 57.67 -80.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 122.035 -0.416 . . . . 0.0 111.268 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.601 0 O-C-N 120.556 -1.34 . . . . 0.0 110.404 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -104.03 37.04 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.221 -1.164 . . . . 0.0 109.399 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -98.25 16.94 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.59 -0.694 . . . . 0.0 109.827 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . 178.95 -24.47 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.455 -0.778 . . . . 0.0 111.356 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.1 -47.13 87.19 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -59.37 -29.67 67.86 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 124.715 1.206 . . . . 0.0 113.721 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.55 81.61 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.295 -1.362 . . . . 0.0 109.169 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -56.98 -36.03 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.942 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -65.41 -34.8 79.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.083 -1.636 . . . . 0.0 109.61 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -57.26 -47.09 82.3 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.653 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -61.7 -46.39 89.86 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 117.687 -1.605 . . . . 0.0 108.341 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -59.76 -48.94 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 C-N-CA 118.277 -1.369 . . . . 0.0 108.762 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.55 -42.29 92.04 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-O 122.628 1.204 . . . . 0.0 109.206 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -111.43 45.46 1.2 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.175 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -61.64 -63.63 4.66 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 118.594 -1.765 . . . . 0.0 109.801 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . 160.59 73.24 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.22 118.95 5.71 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 20' ' ' LYS . . . 174.86 89.92 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.778 -0.836 . . . . 0.0 110.488 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 60.08 -4.46 0.1 Allowed 'General case' 0 N--CA 1.511 2.623 0 O-C-N 119.622 -1.924 . . . . 0.0 112.549 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 18' ' ' ASP . . . -62.45 -35.44 79.3 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 120.347 -1.471 . . . . 0.0 112.407 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.21 -60.2 2.43 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 117.773 -1.571 . . . . 0.0 112.187 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.48 -36.08 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.234 -1.541 . . . . 0.0 111.962 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.41 -35.46 91.05 Favored Glycine 0 N--CA 1.489 2.172 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.72 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.56 -33.67 85.72 Favored Glycine 0 N--CA 1.482 1.711 0 O-C-N 121.221 -1.164 . . . . 0.0 112.728 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -68.45 -39.08 81.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.687 -1.478 . . . . 0.0 111.759 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -62.68 -42.42 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.21 -38.44 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 120.688 -1.257 . . . . 0.0 110.741 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.42 -38.74 88.51 Favored Glycine 0 N--CA 1.486 1.969 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.079 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.71 76.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.738 -1.448 . . . . 0.0 112.066 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -61.04 -37.45 82.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.993 -1.067 . . . . 0.0 111.788 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -65.13 -36.99 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.32 -37.98 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.998 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.46 -36.77 79.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.033 . . . . 0.0 111.972 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.51 77.56 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.72 -1.238 . . . . 0.0 110.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.64 -36.37 65.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.369 -0.832 . . . . 0.0 110.368 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.42 73.91 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.649 -1.282 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.77 -30.55 28.88 Favored Glycine 0 N--CA 1.492 2.398 0 O-C-N 120.76 -1.213 . . . . 0.0 111.133 -176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -53.63 -34.84 59.93 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.488 . . . . 0.0 109.981 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -53.85 -42.56 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 120.652 -1.28 . . . . 0.0 109.887 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.45 -31.04 68.93 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.44 -1.413 . . . . 0.0 110.193 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.12 -22.41 16.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.173 -0.954 . . . . 0.0 112.25 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -56.97 -34.81 68.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.369 -1.457 . . . . 0.0 108.906 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -58.61 -33.76 70.38 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.513 0.673 . . . . 0.0 111.224 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -61.13 -26.32 67.6 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.342 -0.849 . . . . 0.0 111.666 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -56.3 -37.31 69.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.499 -0.751 . . . . 0.0 111.233 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 O-C-N 120.891 -1.131 . . . . 0.0 110.443 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -122.92 129.61 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -1.135 . . . . 0.0 110.538 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -137.86 147.66 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.035 -1.041 . . . . 0.0 109.997 175.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -176.31 -40.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.666 -1.271 . . . . 0.0 110.873 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -60.97 -47.18 87.64 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 117.126 -1.83 . . . . 0.0 106.28 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -62.48 -26.27 68.44 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.998 0.919 . . . . 0.0 113.35 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.4 85.13 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 118.147 -1.421 . . . . 0.0 109.241 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -58.05 -35.47 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.934 -1.104 . . . . 0.0 110.586 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -66.13 -34.98 79.29 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.199 -1.563 . . . . 0.0 110.002 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -56.88 -46.46 81.84 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 118.961 -1.095 . . . . 0.0 109.14 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.73 87.33 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.686 -1.606 . . . . 0.0 108.934 -178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -61.87 -49.48 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 C-N-CA 118.325 -1.35 . . . . 0.0 108.802 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -59.81 -42.53 93.66 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 122.448 1.118 . . . . 0.0 108.778 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -106.12 49.55 0.8 Allowed 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.271 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.31 -52.44 51.62 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 107.579 -2.208 . . . . 0.0 107.579 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -60.35 131.44 50.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.727 -0.867 . . . . 0.0 110.634 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.4 -60.6 0.6 Allowed Glycine 0 N--CA 1.488 2.141 0 C-N-CA 119.961 -1.114 . . . . 0.0 112.203 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . 175.6 92.78 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.725 -0.868 . . . . 0.0 109.529 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . 61.42 -1.99 0.27 Allowed 'General case' 0 N--CA 1.512 2.668 0 CA-C-N 120.902 1.683 . . . . 0.0 112.664 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -63.08 -34.45 77.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.27 -1.519 . . . . 0.0 112.325 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 -60.64 2.15 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 117.774 -1.57 . . . . 0.0 112.199 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -70.89 -35.66 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.457 -1.402 . . . . 0.0 111.99 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.19 -35.68 91.23 Favored Glycine 0 N--CA 1.49 2.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.934 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -33.72 83.1 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 121.147 -1.208 . . . . 0.0 112.609 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -70.46 -35.43 73.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.586 -1.538 . . . . 0.0 111.73 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -63.68 -42.72 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -68.1 -39.22 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.867 -1.146 . . . . 0.0 110.565 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.24 -38.83 88.48 Favored Glycine 0 N--CA 1.485 1.957 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.786 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.69 -33.68 76.44 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.697 -1.473 . . . . 0.0 111.775 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -63.01 -36.85 84.95 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.679 -1.263 . . . . 0.0 111.606 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -66.87 -37.76 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -68.31 -39.26 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 C-N-CA 117.74 -1.584 . . . . 0.0 109.796 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -61.66 -35.3 77.55 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.061 -1.024 . . . . 0.0 111.579 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -34.81 77.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.679 -1.263 . . . . 0.0 109.747 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -59.86 -36.89 69.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.557 -0.714 . . . . 0.0 110.646 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.79 75.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.544 -1.348 . . . . 0.0 109.98 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.89 -30.58 29.88 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 120.877 -1.139 . . . . 0.0 111.333 -177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -55.06 -32.85 62.24 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.588 -1.536 . . . . 0.0 109.589 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -52.86 -42.34 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 C-N-CA 119.08 -1.048 . . . . 0.0 109.696 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -59.59 -30.45 68.68 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.601 -1.312 . . . . 0.0 110.34 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -55.47 -21.65 17.31 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.411 -0.806 . . . . 0.0 112.185 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -57.3 -34.9 69.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.404 -1.435 . . . . 0.0 108.289 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -57.9 -33.78 69.12 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.624 0.725 . . . . 0.0 110.595 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -58.28 -29.91 66.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.351 -0.843 . . . . 0.0 112.614 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . 58.45 -78.92 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.963 -0.461 . . . . 0.0 111.505 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 120.543 -1.348 . . . . 0.0 110.313 -179.855 . . . . . . . . 0 0 . 1 stop_ save_