data_6n68_residue ############################ # Computer software used # ############################ 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 6n68 _Structure_validation_residue.Date_analyzed 2020-05-29 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.21 -1.002 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.76 89.11 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 120.027 -1.671 . . . . 0.0 114.437 170.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -93.9 -57.28 2.59 Favored 'General case' 0 CA--C 1.502 -0.872 0 O-C-N 119.893 -1.945 . . . . 0.0 111.686 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.55 -37.08 78.83 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 O-C-N 120.308 -1.495 . . . . 0.0 110.219 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -36.66 79.86 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.767 2.027 . . . . 0.0 114.218 170.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.4 -14.61 79.91 Favored Glycine 0 C--N 1.358 1.787 0 O-C-N 119.652 -1.905 . . . . 0.0 113.998 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -94.06 5.32 52.09 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.108 1.363 . . . . 0.0 110.461 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -111.61 -36.08 5.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.469 1.128 . . . . 0.0 109.419 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -90.7 10.25 26.61 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.622 -1.298 . . . . 0.0 111.348 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.96 47.39 1.02 Allowed Glycine 0 C--N 1.358 1.758 0 C-N-CA 127.152 2.311 . . . . 0.0 113.573 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.556 1.199 0 C-N-CA 124.557 1.143 . . . . 0.0 113.604 -176.461 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.579 0.704 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.72 85.97 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 120.414 -1.429 . . . . 0.0 112.934 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 m -71.12 -55.56 7.93 Favored 'General case' 0 CA--C 1.511 -0.539 0 O-C-N 121.345 -1.091 . . . . 0.0 111.997 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mt -66.86 -41.33 87.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.96 -1.712 . . . . 0.0 110.601 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.22 -39.03 91.45 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.2 -10.66 82.15 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.043 1.306 . . . . 0.0 115.424 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.95 0.55 56.13 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 121.292 -1.123 . . . . 0.0 110.911 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 tp -116.26 -37.89 3.69 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.104 0.954 . . . . 0.0 110.513 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -88.1 5.37 41.49 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.195 -0.941 . . . . 0.0 108.724 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.7 23.84 18.74 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 127.125 2.298 . . . . 0.0 116.826 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.569 1.688 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -170.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 CA--C 1.506 -0.716 0 CA-C-O 121.908 0.861 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.26 -5.01 84.99 Favored Glycine 0 CA--C 1.487 -1.661 0 O-C-N 120.459 -1.401 . . . . 0.0 112.239 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -77.28 -55.38 5.46 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 121.292 -1.122 . . . . 0.0 111.586 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.34 -40.58 85.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 O-C-N 120.478 -1.389 . . . . 0.0 109.956 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.45 -36.46 84.25 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.54 -7.58 86.05 Favored Glycine 0 C--N 1.356 1.672 0 O-C-N 120.126 -1.609 . . . . 0.0 114.718 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -97.88 6.38 47.84 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.0 tp -118.45 -39.86 2.98 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 123.076 1.417 . . . . 0.0 109.535 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -84.52 -1.61 56.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.734 -1.229 . . . . 0.0 109.926 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.19 18.0 46.61 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 126.049 1.785 . . . . 0.0 116.474 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 CA--C 1.577 1.983 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -165.764 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.212 0.53 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.96 -15.07 81.21 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.576 -1.327 . . . . 0.0 112.988 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.8 m -68.58 -54.73 14.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.624 -0.927 . . . . 0.0 112.396 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -70.21 -36.33 67.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 120.456 -1.403 . . . . 0.0 109.912 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.24 -28.07 67.75 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 172.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.36 -29.13 25.66 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.538 -1.351 . . . . 0.0 113.423 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.17 -23.14 59.2 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.603 -0.939 . . . . 0.0 113.042 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tp -89.8 -15.09 33.08 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 122.924 1.345 . . . . 0.0 113.339 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -95.63 3.4 54.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.445 -1.41 . . . . 0.0 110.285 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.37 14.83 27.76 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 125.721 1.629 . . . . 0.0 115.673 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.563 1.473 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.271 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.27 -19.36 79.66 Favored Glycine 0 C--N 1.354 1.533 0 O-C-N 120.564 -1.335 . . . . 0.0 113.82 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 m -72.94 -56.56 4.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.322 -1.105 . . . . 0.0 113.511 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.32 -40.26 86.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 120.19 -1.569 . . . . 0.0 110.093 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CD2' ' HZ1' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -63.43 -39.72 95.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.983 1.713 . . . . 0.0 114.879 173.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.96 -10.29 84.18 Favored Glycine 0 C--N 1.359 1.811 0 O-C-N 120.442 -1.411 . . . . 0.0 115.147 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.46 -0.62 56.35 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.26 -1.141 . . . . 0.0 110.806 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -110.38 -34.13 6.43 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 122.861 1.315 . . . . 0.0 111.202 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HZ1' ' CD2' ' A' ' 6' ' ' LEU . 90.4 mttt -90.97 16.71 9.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.937 -1.102 . . . . 0.0 109.58 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.07 44.44 1.19 Allowed Glycine 0 CA--C 1.476 -2.352 0 C-N-CA 126.271 1.891 . . . . 0.0 114.742 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 C--O 1.261 1.659 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -174.648 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 120.656 0.265 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.34 -14.55 82.25 Favored Glycine 0 C--N 1.359 1.825 0 O-C-N 120.546 -1.346 . . . . 0.0 113.994 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -76.25 -53.9 7.56 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.497 -1.59 . . . . 0.0 112.941 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 mt -68.36 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 O-C-N 120.495 -1.378 . . . . 0.0 110.257 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -42.15 98.75 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.426 1.49 . . . . 0.0 114.32 172.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.19 -12.49 83.16 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 120.308 -1.495 . . . . 0.0 114.983 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.44 2.07 56.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.506 -0.997 . . . . 0.0 110.725 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.9 tp -112.18 -36.31 5.37 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-O 122.662 1.22 . . . . 0.0 110.692 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.01 17.61 5.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.315 -1.49 . . . . 0.0 110.072 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.95 50.3 0.82 Allowed Glycine 0 CA--C 1.484 -1.903 0 C-N-CA 126.639 2.066 . . . . 0.0 114.244 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 CA--C 1.565 1.553 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.664 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.23 -14.17 82.13 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 120.352 -1.468 . . . . 0.0 113.535 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -73.82 -53.83 9.38 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.209 -1.171 . . . . 0.0 111.99 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.4 -25.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-O 123.219 1.485 . . . . 0.0 109.317 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.74 -28.05 44.87 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.82 1.648 . . . . 0.0 112.435 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.39 -22.43 47.7 Favored Glycine 0 C--N 1.359 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 113.134 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 mt -89.07 -1.93 58.33 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 120.801 -1.411 . . . . 0.0 112.394 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 tp -98.53 -22.56 15.93 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.864 1.316 . . . . 0.0 110.606 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -99.03 5.09 47.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 O-C-N 121.04 -1.037 . . . . 0.0 111.745 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.93 21.67 10.21 Favored Glycine 0 CA--C 1.486 -1.769 0 C-N-CA 124.643 1.116 . . . . 0.0 114.614 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--O 1.258 1.551 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -168.26 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 CA--C 1.516 -0.351 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -3.28 69.17 Favored Glycine 0 C--N 1.36 1.886 0 O-C-N 120.535 -1.353 . . . . 0.0 113.649 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -89.01 -57.46 2.89 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.223 -1.163 . . . . 0.0 110.704 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.9 -41.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 C-N-CA 124.643 1.177 . . . . 0.0 110.663 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.9 -32.53 74.09 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.499 -1.376 . . . . 0.0 114.34 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 -4.99 88.13 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.616 -1.303 . . . . 0.0 115.03 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -106.02 8.11 32.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 124.299 1.04 . . . . 0.0 110.229 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.5 tp -122.31 -37.41 2.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.34 1.543 . . . . 0.0 110.869 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.51 4.55 48.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 171.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.82 24.02 20.33 Favored Glycine 0 C--N 1.352 1.467 0 C-N-CA 127.873 2.654 . . . . 0.0 115.662 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.261 1.703 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -166.739 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 CA--C 1.511 -0.525 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.62 -23.87 69.15 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.822 -1.174 . . . . 0.0 114.347 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -69.35 -47.53 64.06 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.273 -1.133 . . . . 0.0 113.449 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -81.17 -22.9 10.62 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 122.793 1.283 . . . . 0.0 109.789 -174.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -75.24 -26.03 58.54 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.715 1.606 . . . . 0.0 113.48 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.58 22.52 Favored Glycine 0 C--N 1.361 1.962 0 O-C-N 120.305 -1.497 . . . . 0.0 113.359 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.96 -22.13 62.24 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 121.004 -1.292 . . . . 0.0 113.187 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp -90.64 5.06 49.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.564 0.697 . . . . 0.0 111.002 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.51 2.66 10.19 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.322 -0.861 . . . . 0.0 112.346 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.83 16.95 30.54 Favored Glycine 0 CA--C 1.495 -1.162 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--O 1.27 2.154 0 C-N-CA 125.358 1.463 . . . . 0.0 110.098 -171.34 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.516 -0.332 0 CA-C-O 121.551 0.691 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.21 -6.44 86.25 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 120.392 -1.443 . . . . 0.0 113.038 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -76.79 -54.5 6.54 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.788 -0.83 . . . . 0.0 110.921 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.56 -42.73 90.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 O-C-N 120.186 -1.572 . . . . 0.0 110.731 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.95 -38.35 88.18 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.3 -8.87 87.51 Favored Glycine 0 C--N 1.351 1.375 0 O-C-N 120.451 -1.406 . . . . 0.0 114.95 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -96.59 3.3 52.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.687 1.195 . . . . 0.0 111.265 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.5 tp -114.21 -38.37 4.15 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.541 1.162 . . . . 0.0 109.484 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -88.13 3.01 50.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.774 -1.204 . . . . 0.0 109.227 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.24 16.82 52.88 Favored Glycine 0 C--N 1.355 1.608 0 C-N-CA 126.993 2.235 . . . . 0.0 115.666 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.277 2.527 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -167.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--O 1.238 0.497 0 CA-C-O 121.122 0.487 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.04 -23.55 72.91 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.537 -1.352 . . . . 0.0 114.711 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -67.14 -50.33 61.65 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 121.281 -1.129 . . . . 0.0 113.681 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mt -75.31 -35.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 121.008 -1.057 . . . . 0.0 109.419 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.23 -40.77 95.25 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.59 58.99 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 120.505 -1.372 . . . . 0.0 114.563 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.75 -15.27 60.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -101.2 1.24 38.81 Favored 'General case' 0 CA--C 1.516 -0.359 0 O-C-N 121.255 -0.903 . . . . 0.0 112.82 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.43 15.35 20.15 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 121.374 -0.829 . . . . 0.0 113.531 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--O 1.257 1.448 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -168.435 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.89 -12.04 81.09 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 120.409 -1.432 . . . . 0.0 114.449 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -75.77 -50.03 16.43 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.503 -1.587 . . . . 0.0 111.793 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -75.84 -32.35 23.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.216 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.29 -38.18 90.13 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.17 -35.03 44.72 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.107 -1.621 . . . . 0.0 113.506 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.07 -33.05 74.89 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -79.91 -14.02 58.93 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.926 0.869 . . . . 0.0 112.954 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -100.98 -0.09 37.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.112 -0.992 . . . . 0.0 112.446 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.32 13.03 28.4 Favored Glycine 0 CA--C 1.49 -1.479 0 O-C-N 121.653 -0.655 . . . . 0.0 113.668 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 122.427 1.108 . . . . 0.0 113.285 -169.564 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.85 -16.94 70.89 Favored Glycine 0 C--N 1.357 1.74 0 O-C-N 119.774 -1.829 . . . . 0.0 113.681 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 m -72.21 -47.21 52.24 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 121.161 -1.2 . . . . 0.0 113.194 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.4 -16.59 9.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-O 122.765 1.269 . . . . 0.0 109.966 -175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tt -81.21 -24.74 37.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.639 1.176 . . . . 0.0 113.444 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -34.23 20.36 Favored Glycine 0 C--N 1.362 2.0 0 O-C-N 120.616 -1.302 . . . . 0.0 112.832 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.66 -21.49 62.6 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.63 -0.924 . . . . 0.0 113.396 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -91.42 2.46 56.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 122.017 0.913 . . . . 0.0 110.844 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -119.32 2.58 11.34 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.547 -1.346 . . . . 0.0 112.321 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.38 15.18 30.17 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--O 1.27 2.182 0 C-N-CA 125.165 1.386 . . . . 0.0 108.902 -172.534 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.39 0.614 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.96 -9.08 85.29 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 119.935 -1.728 . . . . 0.0 113.483 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -76.4 -51.93 10.89 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 120.857 -1.378 . . . . 0.0 112.521 174.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mt -69.37 -39.02 78.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 O-C-N 120.482 -1.386 . . . . 0.0 109.756 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.14 -35.87 82.48 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.43 -10.6 84.33 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 120.305 -1.497 . . . . 0.0 114.995 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 mt -96.23 6.39 48.92 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 125.282 1.433 . . . . 0.0 110.259 172.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.2 tp -115.43 -38.88 3.67 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.95 1.357 . . . . 0.0 108.824 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -89.83 3.73 52.02 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 121.363 -0.836 . . . . 0.0 110.158 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.99 33.69 5.07 Favored Glycine 0 CA--C 1.49 -1.481 0 C-N-CA 126.305 1.907 . . . . 0.0 114.264 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.258 1.537 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -173.104 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.07 -28.11 70.0 Favored Glycine 0 C--N 1.357 1.708 0 O-C-N 120.627 -1.296 . . . . 0.0 115.185 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -65.49 -49.8 67.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.976 -1.308 . . . . 0.0 114.43 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -78.05 -28.87 15.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 123.147 1.451 . . . . 0.0 109.317 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.09 -37.51 85.95 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 126.799 2.04 . . . . 0.0 114.122 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.65 -35.41 51.36 Favored Glycine 0 C--N 1.357 1.72 0 O-C-N 120.32 -1.488 . . . . 0.0 113.88 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.66 -28.61 67.85 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -80.69 -10.7 59.71 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 122.228 1.013 . . . . 0.0 112.182 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.89 1.91 31.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.322 -1.486 . . . . 0.0 112.91 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.14 16.61 22.51 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.718 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--O 1.266 1.929 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -162.007 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.236 0.372 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.16 -19.96 76.13 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 120.152 -1.593 . . . . 0.0 114.812 -176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -69.85 -51.47 33.16 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.085 -1.244 . . . . 0.0 112.445 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 mt -71.12 -35.66 59.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 120.829 -1.17 . . . . 0.0 109.657 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.56 -42.42 96.59 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 126.128 1.771 . . . . 0.0 113.837 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.64 -32.51 61.59 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 120.831 -1.168 . . . . 0.0 114.029 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.38 -17.44 61.82 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.693 -1.475 . . . . 0.0 113.355 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -91.8 -0.69 57.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.615 1.197 . . . . 0.0 111.485 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -112.21 4.58 17.91 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 120.003 -1.686 . . . . 0.0 112.357 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.59 22.17 8.33 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 123.742 0.687 . . . . 0.0 114.718 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--O 1.256 1.413 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 -164.232 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.29 -18.23 74.88 Favored Glycine 0 C--N 1.356 1.677 0 O-C-N 120.36 -1.463 . . . . 0.0 114.716 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -70.57 -52.13 23.74 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.262 -1.728 . . . . 0.0 112.931 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -76.99 -25.48 15.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 120.543 -1.348 . . . . 0.0 109.357 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.28 -41.35 89.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.981 1.712 . . . . 0.0 114.198 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.44 -31.77 56.23 Favored Glycine 0 C--N 1.361 1.964 0 O-C-N 120.576 -1.327 . . . . 0.0 113.361 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -73.03 -16.65 61.49 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 120.641 -1.505 . . . . 0.0 113.864 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.67 -6.32 46.61 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.361 1.077 . . . . 0.0 111.325 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.99 1.01 24.11 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 120.071 -1.643 . . . . 0.0 113.35 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.71 13.76 24.8 Favored Glycine 0 C--N 1.35 1.307 0 C-N-CA 123.453 0.549 . . . . 0.0 113.472 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.256 1.419 0 CA-C-O 121.733 0.777 . . . . 0.0 112.712 -172.785 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 C--O 1.237 0.413 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.37 -27.2 70.37 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 120.614 -1.304 . . . . 0.0 114.119 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -66.48 -48.56 69.49 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 123.588 0.755 . . . . 0.0 112.95 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -74.3 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 123.672 0.789 . . . . 0.0 110.801 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.28 -30.78 70.69 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.726 1.61 . . . . 0.0 113.741 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.58 -16.83 74.74 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 120.479 -1.388 . . . . 0.0 116.15 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.4 mt -95.43 9.13 41.11 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.21 -1.759 . . . . 0.0 111.533 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tp -120.67 25.21 9.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.428 1.109 . . . . 0.0 109.986 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -143.12 -17.7 0.66 Allowed 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.62 13.75 53.86 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.344 -0.848 . . . . 0.0 113.104 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.28 2.704 0 CA-C-O 117.031 -1.462 . . . . 0.0 113.398 -170.371 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.225 -0.227 0 CA-C-O 121.796 0.808 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.9 -13.84 78.74 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 120.639 -1.288 . . . . 0.0 114.722 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.1 m -71.99 -50.98 24.17 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.359 -1.083 . . . . 0.0 112.177 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.6 mp -71.69 -39.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 121.326 -0.859 . . . . 0.0 110.472 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.49 -39.76 88.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.91 -39.0 64.86 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 120.781 -1.199 . . . . 0.0 114.056 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.37 -39.59 91.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.02 -15.99 61.51 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -173.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -97.98 2.38 48.9 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 121.023 -1.048 . . . . 0.0 112.618 -172.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.97 18.16 12.61 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-O 118.919 -0.934 . . . . 0.0 115.202 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 CA--C 1.567 1.608 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -160.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -7.01 81.54 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.66 -1.275 . . . . 0.0 113.851 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 m -79.45 -53.44 6.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.864 -1.374 . . . . 0.0 110.831 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -68.27 -42.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 120.793 -1.192 . . . . 0.0 110.473 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.56 -34.44 76.95 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 170.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.28 -8.18 87.83 Favored Glycine 0 C--N 1.36 1.913 0 O-C-N 120.847 -1.158 . . . . 0.0 114.756 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.04 3.76 44.32 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 124.589 1.156 . . . . 0.0 110.651 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.0 tp -110.44 -32.76 6.82 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.992 1.377 . . . . 0.0 109.666 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -93.11 13.8 19.86 Favored 'General case' 0 N--CA 1.438 -1.025 0 O-C-N 120.549 -1.345 . . . . 0.0 109.934 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.69 46.56 1.06 Allowed Glycine 0 C--N 1.353 1.498 0 C-N-CA 125.661 1.601 . . . . 0.0 113.37 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--O 1.26 1.635 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -171.766 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.255 2.7 pp . . . . . 0 N--CA 1.503 2.177 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.43 -34.86 78.89 Favored 'General case' 0 C--N 1.362 1.148 0 O-C-N 119.96 -1.712 . . . . 0.0 112.86 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.76 89.11 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 120.027 -1.671 . . . . 0.0 114.437 170.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -93.9 -57.28 2.59 Favored 'General case' 0 CA--C 1.502 -0.872 0 O-C-N 119.893 -1.945 . . . . 0.0 111.686 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.55 -37.08 78.83 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 O-C-N 120.308 -1.495 . . . . 0.0 110.219 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -36.66 79.86 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.767 2.027 . . . . 0.0 114.218 170.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.4 -14.61 79.91 Favored Glycine 0 C--N 1.358 1.787 0 O-C-N 119.652 -1.905 . . . . 0.0 113.998 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -94.06 5.32 52.09 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.108 1.363 . . . . 0.0 110.461 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -111.61 -36.08 5.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.469 1.128 . . . . 0.0 109.419 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -90.7 10.25 26.61 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.622 -1.298 . . . . 0.0 111.348 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.96 47.39 1.02 Allowed Glycine 0 C--N 1.358 1.758 0 C-N-CA 127.152 2.311 . . . . 0.0 113.573 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt -122.55 -175.93 3.26 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.557 1.143 . . . . 0.0 113.604 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.799 0 O-C-N 121.622 -0.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -127.13 -37.28 2.08 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.979 -1.076 . . . . 0.0 111.483 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.72 85.97 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 120.414 -1.429 . . . . 0.0 112.934 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 m -71.12 -55.56 7.93 Favored 'General case' 0 CA--C 1.511 -0.539 0 O-C-N 121.345 -1.091 . . . . 0.0 111.997 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mt -66.86 -41.33 87.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.96 -1.712 . . . . 0.0 110.601 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.22 -39.03 91.45 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.2 -10.66 82.15 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.043 1.306 . . . . 0.0 115.424 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.95 0.55 56.13 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 121.292 -1.123 . . . . 0.0 110.911 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 tp -116.26 -37.89 3.69 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.104 0.954 . . . . 0.0 110.513 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -88.1 5.37 41.49 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.195 -0.941 . . . . 0.0 108.724 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.7 23.84 18.74 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 127.125 2.298 . . . . 0.0 116.826 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' HB3' ' HN2' ' A' ' 13' ' ' NH2 . 95.1 mt -113.77 -141.37 0.38 Allowed 'General case' 0 CA--C 1.569 1.688 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -170.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.474 ' HN2' ' HB3' ' A' ' 12' ' ' LEU . . . . . . . . 1 C--N 1.471 5.877 0 CA-C-N 118.294 0.497 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.7 pp . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -123.09 -39.99 2.44 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 120.934 -1.104 . . . . 0.0 110.679 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.26 -5.01 84.99 Favored Glycine 0 CA--C 1.487 -1.661 0 O-C-N 120.459 -1.401 . . . . 0.0 112.239 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -77.28 -55.38 5.46 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 121.292 -1.122 . . . . 0.0 111.586 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.34 -40.58 85.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 O-C-N 120.478 -1.389 . . . . 0.0 109.956 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.45 -36.46 84.25 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.54 -7.58 86.05 Favored Glycine 0 C--N 1.356 1.672 0 O-C-N 120.126 -1.609 . . . . 0.0 114.718 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -97.88 6.38 47.84 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.0 tp -118.45 -39.86 2.98 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 123.076 1.417 . . . . 0.0 109.535 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -84.52 -1.61 56.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.734 -1.229 . . . . 0.0 109.926 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.19 18.0 46.61 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 126.049 1.785 . . . . 0.0 116.474 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' HB3' ' HN2' ' A' ' 13' ' ' NH2 . 82.2 mt -109.23 -136.05 0.36 Allowed 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -165.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.512 ' HN2' ' HB3' ' A' ' 12' ' ' LEU . . . . . . . . 1 C--N 1.469 5.804 0 CA-C-N 118.182 0.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.8 -39.76 2.25 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.421 -0.799 . . . . 0.0 111.531 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.96 -15.07 81.21 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.576 -1.327 . . . . 0.0 112.988 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.8 m -68.58 -54.73 14.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.624 -0.927 . . . . 0.0 112.396 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -70.21 -36.33 67.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 120.456 -1.403 . . . . 0.0 109.912 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.24 -28.07 67.75 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 172.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.36 -29.13 25.66 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.538 -1.351 . . . . 0.0 113.423 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.17 -23.14 59.2 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.603 -0.939 . . . . 0.0 113.042 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tp -89.8 -15.09 33.08 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 122.924 1.345 . . . . 0.0 113.339 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -95.63 3.4 54.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.445 -1.41 . . . . 0.0 110.285 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.37 14.83 27.76 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 125.721 1.629 . . . . 0.0 115.673 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.68 174.09 7.36 Favored 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.777 0 O-C-N 121.888 -0.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.6 pt . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -100.85 -32.86 10.47 Favored 'General case' 0 CA--C 1.504 -0.804 0 O-C-N 120.452 -1.405 . . . . 0.0 111.756 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.27 -19.36 79.66 Favored Glycine 0 C--N 1.354 1.533 0 O-C-N 120.564 -1.335 . . . . 0.0 113.82 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 m -72.94 -56.56 4.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.322 -1.105 . . . . 0.0 113.511 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.32 -40.26 86.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 120.19 -1.569 . . . . 0.0 110.093 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CD2' ' HZ1' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -63.43 -39.72 95.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.983 1.713 . . . . 0.0 114.879 173.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.96 -10.29 84.18 Favored Glycine 0 C--N 1.359 1.811 0 O-C-N 120.442 -1.411 . . . . 0.0 115.147 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.46 -0.62 56.35 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.26 -1.141 . . . . 0.0 110.806 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -110.38 -34.13 6.43 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 122.861 1.315 . . . . 0.0 111.202 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HZ1' ' CD2' ' A' ' 6' ' ' LEU . 90.4 mttt -90.97 16.71 9.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.937 -1.102 . . . . 0.0 109.58 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.07 44.44 1.19 Allowed Glycine 0 CA--C 1.476 -2.352 0 C-N-CA 126.271 1.891 . . . . 0.0 114.742 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.6 mt -123.8 -121.0 0.27 Allowed 'General case' 0 C--O 1.261 1.659 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.847 0 CA-C-N 118.067 0.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.8 pt . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.8 -33.43 8.42 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 120.823 -1.173 . . . . 0.0 111.474 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.34 -14.55 82.25 Favored Glycine 0 C--N 1.359 1.825 0 O-C-N 120.546 -1.346 . . . . 0.0 113.994 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -76.25 -53.9 7.56 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.497 -1.59 . . . . 0.0 112.941 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 mt -68.36 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 O-C-N 120.495 -1.378 . . . . 0.0 110.257 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -42.15 98.75 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.426 1.49 . . . . 0.0 114.32 172.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.19 -12.49 83.16 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 120.308 -1.495 . . . . 0.0 114.983 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.44 2.07 56.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.506 -0.997 . . . . 0.0 110.725 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.9 tp -112.18 -36.31 5.37 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-O 122.662 1.22 . . . . 0.0 110.692 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.01 17.61 5.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.315 -1.49 . . . . 0.0 110.072 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.95 50.3 0.82 Allowed Glycine 0 CA--C 1.484 -1.903 0 C-N-CA 126.639 2.066 . . . . 0.0 114.244 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.0 mt -123.19 -127.02 0.26 Allowed 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.814 0 CA-C-N 118.54 0.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.259 2.7 pp . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 121.789 0.804 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.06 -32.07 4.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.037 -1.04 . . . . 0.0 109.688 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.23 -14.17 82.13 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 120.352 -1.468 . . . . 0.0 113.535 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -73.82 -53.83 9.38 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.209 -1.171 . . . . 0.0 111.99 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.4 -25.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-O 123.219 1.485 . . . . 0.0 109.317 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.74 -28.05 44.87 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.82 1.648 . . . . 0.0 112.435 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.39 -22.43 47.7 Favored Glycine 0 C--N 1.359 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 113.134 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 mt -89.07 -1.93 58.33 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 120.801 -1.411 . . . . 0.0 112.394 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 tp -98.53 -22.56 15.93 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.864 1.316 . . . . 0.0 110.606 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -99.03 5.09 47.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 O-C-N 121.04 -1.037 . . . . 0.0 111.745 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.93 21.67 10.21 Favored Glycine 0 CA--C 1.486 -1.769 0 C-N-CA 124.643 1.116 . . . . 0.0 114.614 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -101.49 -114.58 0.19 Allowed 'General case' 0 C--O 1.258 1.551 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -168.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.811 0 O-C-N 121.392 -0.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.65 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.65 ' H ' HD12 ' A' ' 1' ' ' ILE . 22.0 mt -60.02 -43.97 94.93 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 127.041 2.136 . . . . 0.0 113.246 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -3.28 69.17 Favored Glycine 0 C--N 1.36 1.886 0 O-C-N 120.535 -1.353 . . . . 0.0 113.649 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -89.01 -57.46 2.89 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.223 -1.163 . . . . 0.0 110.704 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.9 -41.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 C-N-CA 124.643 1.177 . . . . 0.0 110.663 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.9 -32.53 74.09 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.499 -1.376 . . . . 0.0 114.34 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 -4.99 88.13 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.616 -1.303 . . . . 0.0 115.03 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -106.02 8.11 32.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 124.299 1.04 . . . . 0.0 110.229 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.5 tp -122.31 -37.41 2.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.34 1.543 . . . . 0.0 110.869 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.51 4.55 48.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 171.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.82 24.02 20.33 Favored Glycine 0 C--N 1.352 1.467 0 C-N-CA 127.873 2.654 . . . . 0.0 115.662 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -122.23 171.5 8.97 Favored 'General case' 0 C--O 1.261 1.703 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -166.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.836 0 O-C-N 122.415 -0.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.585 HD11 ' H ' ' A' ' 2' ' ' LEU . 1.3 pp . . . . . 0 N--CA 1.498 1.963 0 CA-C-O 118.307 -0.854 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.585 ' H ' HD11 ' A' ' 1' ' ' ILE . 25.6 mt -63.83 -49.1 74.17 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.659 1.572 . . . . 0.0 113.621 -175.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.62 -23.87 69.15 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.822 -1.174 . . . . 0.0 114.347 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -69.35 -47.53 64.06 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.273 -1.133 . . . . 0.0 113.449 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -81.17 -22.9 10.62 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 122.793 1.283 . . . . 0.0 109.789 -174.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -75.24 -26.03 58.54 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.715 1.606 . . . . 0.0 113.48 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.58 22.52 Favored Glycine 0 C--N 1.361 1.962 0 O-C-N 120.305 -1.497 . . . . 0.0 113.359 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.96 -22.13 62.24 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 121.004 -1.292 . . . . 0.0 113.187 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp -90.64 5.06 49.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.564 0.697 . . . . 0.0 111.002 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.51 2.66 10.19 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.322 -0.861 . . . . 0.0 112.346 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.83 16.95 30.54 Favored Glycine 0 CA--C 1.495 -1.162 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.9 mt -118.1 -91.65 0.54 Allowed 'General case' 0 C--O 1.27 2.154 0 C-N-CA 125.358 1.463 . . . . 0.0 110.098 -171.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.801 0 CA-C-N 118.812 0.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.9 pt . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp -113.89 -43.32 3.28 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.223 -1.548 . . . . 0.0 111.295 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.21 -6.44 86.25 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 120.392 -1.443 . . . . 0.0 113.038 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -76.79 -54.5 6.54 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.788 -0.83 . . . . 0.0 110.921 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.56 -42.73 90.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 O-C-N 120.186 -1.572 . . . . 0.0 110.731 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.95 -38.35 88.18 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.3 -8.87 87.51 Favored Glycine 0 C--N 1.351 1.375 0 O-C-N 120.451 -1.406 . . . . 0.0 114.95 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -96.59 3.3 52.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.687 1.195 . . . . 0.0 111.265 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.5 tp -114.21 -38.37 4.15 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.541 1.162 . . . . 0.0 109.484 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -88.13 3.01 50.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.774 -1.204 . . . . 0.0 109.227 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.24 16.82 52.88 Favored Glycine 0 C--N 1.355 1.608 0 C-N-CA 126.993 2.235 . . . . 0.0 115.666 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.4 mt -116.88 11.79 14.53 Favored 'General case' 0 C--O 1.277 2.527 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -167.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.84 0 CA-C-N 120.421 1.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.316 2.7 pp . . . . . 0 N--CA 1.498 1.926 0 CA-C-O 122.582 1.182 . . . . 0.0 113.033 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp -101.31 -38.64 7.97 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 119.554 -1.966 . . . . 0.0 110.271 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.04 -23.55 72.91 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.537 -1.352 . . . . 0.0 114.711 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -67.14 -50.33 61.65 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 121.281 -1.129 . . . . 0.0 113.681 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mt -75.31 -35.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 121.008 -1.057 . . . . 0.0 109.419 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.23 -40.77 95.25 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.59 58.99 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 120.505 -1.372 . . . . 0.0 114.563 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.75 -15.27 60.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -101.2 1.24 38.81 Favored 'General case' 0 CA--C 1.516 -0.359 0 O-C-N 121.255 -0.903 . . . . 0.0 112.82 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.43 15.35 20.15 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 121.374 -0.829 . . . . 0.0 113.531 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' HB3' ' HN2' ' A' ' 13' ' ' NH2 . 38.2 mt -113.6 -165.22 0.98 Allowed 'General case' 0 C--O 1.257 1.448 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -168.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.406 ' HN2' ' HB3' ' A' ' 12' ' ' LEU . . . . . . . . 1 C--N 1.469 5.79 0 CA-C-N 115.651 -0.704 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.31 2.8 pp . . . . . 0 N--CA 1.505 2.279 0 CA-C-O 122.286 1.041 . . . . 0.0 112.304 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -110.65 -36.52 5.71 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.125 -1.609 . . . . 0.0 109.5 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.89 -12.04 81.09 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 120.409 -1.432 . . . . 0.0 114.449 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -75.77 -50.03 16.43 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.503 -1.587 . . . . 0.0 111.793 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -75.84 -32.35 23.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.216 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.29 -38.18 90.13 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.17 -35.03 44.72 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.107 -1.621 . . . . 0.0 113.506 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.07 -33.05 74.89 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -79.91 -14.02 58.93 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.926 0.869 . . . . 0.0 112.954 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -100.98 -0.09 37.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.112 -0.992 . . . . 0.0 112.446 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.32 13.03 28.4 Favored Glycine 0 CA--C 1.49 -1.479 0 O-C-N 121.653 -0.655 . . . . 0.0 113.668 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -111.59 179.79 3.92 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 122.427 1.108 . . . . 0.0 113.285 -169.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.831 0 CA-C-N 114.813 -1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.685 ' CD1' ' H ' ' A' ' 2' ' ' LEU . 1.8 pp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.685 ' H ' ' CD1' ' A' ' 1' ' ' ILE . 25.6 mt -63.64 -46.77 84.15 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 127.001 2.12 . . . . 0.0 112.983 -176.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.85 -16.94 70.89 Favored Glycine 0 C--N 1.357 1.74 0 O-C-N 119.774 -1.829 . . . . 0.0 113.681 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 m -72.21 -47.21 52.24 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 121.161 -1.2 . . . . 0.0 113.194 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.4 -16.59 9.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-O 122.765 1.269 . . . . 0.0 109.966 -175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tt -81.21 -24.74 37.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.639 1.176 . . . . 0.0 113.444 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -34.23 20.36 Favored Glycine 0 C--N 1.362 2.0 0 O-C-N 120.616 -1.302 . . . . 0.0 112.832 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.66 -21.49 62.6 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.63 -0.924 . . . . 0.0 113.396 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -91.42 2.46 56.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 122.017 0.913 . . . . 0.0 110.844 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -119.32 2.58 11.34 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.547 -1.346 . . . . 0.0 112.321 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.38 15.18 30.17 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 mt -117.88 -100.77 0.43 Allowed 'General case' 0 C--O 1.27 2.182 0 C-N-CA 125.165 1.386 . . . . 0.0 108.902 -172.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.835 0 CA-C-N 119.35 0.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.1 -36.17 5.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 120.097 -1.627 . . . . 0.0 110.247 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.96 -9.08 85.29 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 119.935 -1.728 . . . . 0.0 113.483 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -76.4 -51.93 10.89 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 120.857 -1.378 . . . . 0.0 112.521 174.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mt -69.37 -39.02 78.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 O-C-N 120.482 -1.386 . . . . 0.0 109.756 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.14 -35.87 82.48 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.43 -10.6 84.33 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 120.305 -1.497 . . . . 0.0 114.995 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 mt -96.23 6.39 48.92 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 125.282 1.433 . . . . 0.0 110.259 172.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.2 tp -115.43 -38.88 3.67 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.95 1.357 . . . . 0.0 108.824 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -89.83 3.73 52.02 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 121.363 -0.836 . . . . 0.0 110.158 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.99 33.69 5.07 Favored Glycine 0 CA--C 1.49 -1.481 0 C-N-CA 126.305 1.907 . . . . 0.0 114.264 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 mt -114.87 -125.67 0.29 Allowed 'General case' 0 C--O 1.258 1.537 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -173.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.826 0 CA-C-N 118.733 0.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 122.046 0.927 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.3 mt -113.04 -38.59 4.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 120.814 -1.179 . . . . 0.0 108.998 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.07 -28.11 70.0 Favored Glycine 0 C--N 1.357 1.708 0 O-C-N 120.627 -1.296 . . . . 0.0 115.185 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -65.49 -49.8 67.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.976 -1.308 . . . . 0.0 114.43 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -78.05 -28.87 15.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 123.147 1.451 . . . . 0.0 109.317 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.09 -37.51 85.95 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 126.799 2.04 . . . . 0.0 114.122 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.65 -35.41 51.36 Favored Glycine 0 C--N 1.357 1.72 0 O-C-N 120.32 -1.488 . . . . 0.0 113.88 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.66 -28.61 67.85 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -80.69 -10.7 59.71 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 122.228 1.013 . . . . 0.0 112.182 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.89 1.91 31.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.322 -1.486 . . . . 0.0 112.91 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.14 16.61 22.51 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.718 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.0 mt -117.45 -125.64 0.28 Allowed 'General case' 0 C--O 1.266 1.929 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -162.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.471 5.858 0 O-C-N 120.247 -1.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.263 2.6 pp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.166 0.508 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp -107.06 -36.11 6.68 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 120.737 -1.227 . . . . 0.0 108.908 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.16 -19.96 76.13 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 120.152 -1.593 . . . . 0.0 114.812 -176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -69.85 -51.47 33.16 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.085 -1.244 . . . . 0.0 112.445 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 mt -71.12 -35.66 59.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 120.829 -1.17 . . . . 0.0 109.657 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.56 -42.42 96.59 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 126.128 1.771 . . . . 0.0 113.837 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.64 -32.51 61.59 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 120.831 -1.168 . . . . 0.0 114.029 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.38 -17.44 61.82 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.693 -1.475 . . . . 0.0 113.355 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -91.8 -0.69 57.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.615 1.197 . . . . 0.0 111.485 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -112.21 4.58 17.91 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 120.003 -1.686 . . . . 0.0 112.357 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.59 22.17 8.33 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 123.742 0.687 . . . . 0.0 114.718 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' HB3' ' HN2' ' A' ' 13' ' ' NH2 . 24.2 mt -118.47 -127.88 0.28 Allowed 'General case' 0 C--O 1.256 1.413 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 -164.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.448 ' HN2' ' HB3' ' A' ' 12' ' ' LEU . . . . . . . . 1 C--N 1.47 5.814 0 O-C-N 120.298 -1.501 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.46 -35.12 3.84 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.609 -0.682 . . . . 0.0 109.881 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.29 -18.23 74.88 Favored Glycine 0 C--N 1.356 1.677 0 O-C-N 120.36 -1.463 . . . . 0.0 114.716 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -70.57 -52.13 23.74 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.262 -1.728 . . . . 0.0 112.931 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -76.99 -25.48 15.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 120.543 -1.348 . . . . 0.0 109.357 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.28 -41.35 89.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.981 1.712 . . . . 0.0 114.198 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.44 -31.77 56.23 Favored Glycine 0 C--N 1.361 1.964 0 O-C-N 120.576 -1.327 . . . . 0.0 113.361 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -73.03 -16.65 61.49 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 120.641 -1.505 . . . . 0.0 113.864 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.67 -6.32 46.61 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.361 1.077 . . . . 0.0 111.325 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.99 1.01 24.11 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 120.071 -1.643 . . . . 0.0 113.35 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.71 13.76 24.8 Favored Glycine 0 C--N 1.35 1.307 0 C-N-CA 123.453 0.549 . . . . 0.0 113.472 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt -109.91 175.03 5.59 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-O 121.733 0.777 . . . . 0.0 112.712 -172.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.781 0 CA-C-N 116.055 -0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.509 HD11 ' H ' ' A' ' 2' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.505 2.306 0 CA-C-O 117.527 -1.225 . . . . 0.0 113.622 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.509 ' H ' HD11 ' A' ' 1' ' ' ILE . 35.0 mt -59.36 -51.28 70.61 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 121.871 2.123 . . . . 0.0 113.422 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.37 -27.2 70.37 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 120.614 -1.304 . . . . 0.0 114.119 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -66.48 -48.56 69.49 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 123.588 0.755 . . . . 0.0 112.95 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -74.3 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 123.672 0.789 . . . . 0.0 110.801 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.28 -30.78 70.69 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.726 1.61 . . . . 0.0 113.741 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.58 -16.83 74.74 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 120.479 -1.388 . . . . 0.0 116.15 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.4 mt -95.43 9.13 41.11 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.21 -1.759 . . . . 0.0 111.533 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tp -120.67 25.21 9.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.428 1.109 . . . . 0.0 109.986 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -143.12 -17.7 0.66 Allowed 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.62 13.75 53.86 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.344 -0.848 . . . . 0.0 113.104 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp -140.09 -44.7 0.42 Allowed 'General case' 0 C--O 1.28 2.704 0 CA-C-O 117.031 -1.462 . . . . 0.0 113.398 -170.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.829 0 CA-C-N 119.611 1.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -84.57 -32.58 23.73 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 118.834 -2.417 . . . . 0.0 112.42 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.9 -13.84 78.74 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 120.639 -1.288 . . . . 0.0 114.722 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.1 m -71.99 -50.98 24.17 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.359 -1.083 . . . . 0.0 112.177 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.6 mp -71.69 -39.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 121.326 -0.859 . . . . 0.0 110.472 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.49 -39.76 88.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.91 -39.0 64.86 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 120.781 -1.199 . . . . 0.0 114.056 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.37 -39.59 91.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.02 -15.99 61.51 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -173.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -97.98 2.38 48.9 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 121.023 -1.048 . . . . 0.0 112.618 -172.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.97 18.16 12.61 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-O 118.919 -0.934 . . . . 0.0 115.202 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.8 -120.57 0.3 Allowed 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -160.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.798 0 O-C-N 120.9 -1.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.512 HD11 ' H1 ' ' A' ' 1' ' ' ILE . 4.7 mp . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.82 -43.02 98.75 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.654 -1.279 . . . . 0.0 113.358 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -7.01 81.54 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.66 -1.275 . . . . 0.0 113.851 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 m -79.45 -53.44 6.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.864 -1.374 . . . . 0.0 110.831 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -68.27 -42.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 120.793 -1.192 . . . . 0.0 110.473 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.56 -34.44 76.95 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 170.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.28 -8.18 87.83 Favored Glycine 0 C--N 1.36 1.913 0 O-C-N 120.847 -1.158 . . . . 0.0 114.756 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.04 3.76 44.32 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 124.589 1.156 . . . . 0.0 110.651 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.0 tp -110.44 -32.76 6.82 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.992 1.377 . . . . 0.0 109.666 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -93.11 13.8 19.86 Favored 'General case' 0 N--CA 1.438 -1.025 0 O-C-N 120.549 -1.345 . . . . 0.0 109.934 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.69 46.56 1.06 Allowed Glycine 0 C--N 1.353 1.498 0 C-N-CA 125.661 1.601 . . . . 0.0 113.37 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -125.8 -175.35 3.32 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -171.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.794 0 O-C-N 120.804 -1.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.21 -1.002 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.76 89.11 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 120.027 -1.671 . . . . 0.0 114.437 170.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -93.9 -57.28 2.59 Favored 'General case' 0 CA--C 1.502 -0.872 0 O-C-N 119.893 -1.945 . . . . 0.0 111.686 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.55 -37.08 78.83 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 O-C-N 120.308 -1.495 . . . . 0.0 110.219 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -68.22 -36.66 79.86 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.767 2.027 . . . . 0.0 114.218 170.501 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.4 -14.61 79.91 Favored Glycine 0 C--N 1.358 1.787 0 O-C-N 119.652 -1.905 . . . . 0.0 113.998 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -94.06 5.32 52.09 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.108 1.363 . . . . 0.0 110.461 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -111.61 -36.08 5.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.469 1.128 . . . . 0.0 109.419 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -90.7 10.25 26.61 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.622 -1.298 . . . . 0.0 111.348 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.96 47.39 1.02 Allowed Glycine 0 C--N 1.358 1.758 0 C-N-CA 127.152 2.311 . . . . 0.0 113.573 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.556 1.199 0 C-N-CA 124.557 1.143 . . . . 0.0 113.604 -176.461 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.579 0.704 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.72 85.97 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 120.414 -1.429 . . . . 0.0 112.934 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 m -71.12 -55.56 7.93 Favored 'General case' 0 CA--C 1.511 -0.539 0 O-C-N 121.345 -1.091 . . . . 0.0 111.997 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mt -66.86 -41.33 87.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.96 -1.712 . . . . 0.0 110.601 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.22 -39.03 91.45 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.2 -10.66 82.15 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.043 1.306 . . . . 0.0 115.424 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.95 0.55 56.13 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 121.292 -1.123 . . . . 0.0 110.911 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 tp -116.26 -37.89 3.69 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.104 0.954 . . . . 0.0 110.513 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -88.1 5.37 41.49 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.195 -0.941 . . . . 0.0 108.724 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.7 23.84 18.74 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 127.125 2.298 . . . . 0.0 116.826 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.569 1.688 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -170.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 CA--C 1.506 -0.716 0 CA-C-O 121.908 0.861 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.26 -5.01 84.99 Favored Glycine 0 CA--C 1.487 -1.661 0 O-C-N 120.459 -1.401 . . . . 0.0 112.239 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -77.28 -55.38 5.46 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 121.292 -1.122 . . . . 0.0 111.586 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.34 -40.58 85.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 O-C-N 120.478 -1.389 . . . . 0.0 109.956 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.45 -36.46 84.25 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.54 -7.58 86.05 Favored Glycine 0 C--N 1.356 1.672 0 O-C-N 120.126 -1.609 . . . . 0.0 114.718 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -97.88 6.38 47.84 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.0 tp -118.45 -39.86 2.98 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 123.076 1.417 . . . . 0.0 109.535 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -84.52 -1.61 56.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.734 -1.229 . . . . 0.0 109.926 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.19 18.0 46.61 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 126.049 1.785 . . . . 0.0 116.474 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 CA--C 1.577 1.983 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -165.764 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.212 0.53 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.96 -15.07 81.21 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.576 -1.327 . . . . 0.0 112.988 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.8 m -68.58 -54.73 14.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.624 -0.927 . . . . 0.0 112.396 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -70.21 -36.33 67.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 120.456 -1.403 . . . . 0.0 109.912 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.24 -28.07 67.75 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 172.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.36 -29.13 25.66 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.538 -1.351 . . . . 0.0 113.423 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.17 -23.14 59.2 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.603 -0.939 . . . . 0.0 113.042 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tp -89.8 -15.09 33.08 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 122.924 1.345 . . . . 0.0 113.339 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -95.63 3.4 54.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.445 -1.41 . . . . 0.0 110.285 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.37 14.83 27.76 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 125.721 1.629 . . . . 0.0 115.673 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.563 1.473 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.271 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.27 -19.36 79.66 Favored Glycine 0 C--N 1.354 1.533 0 O-C-N 120.564 -1.335 . . . . 0.0 113.82 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 m -72.94 -56.56 4.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.322 -1.105 . . . . 0.0 113.511 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.32 -40.26 86.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 120.19 -1.569 . . . . 0.0 110.093 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -39.72 95.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.983 1.713 . . . . 0.0 114.879 173.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.96 -10.29 84.18 Favored Glycine 0 C--N 1.359 1.811 0 O-C-N 120.442 -1.411 . . . . 0.0 115.147 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.46 -0.62 56.35 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.26 -1.141 . . . . 0.0 110.806 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -110.38 -34.13 6.43 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 122.861 1.315 . . . . 0.0 111.202 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -90.97 16.71 9.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.937 -1.102 . . . . 0.0 109.58 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.07 44.44 1.19 Allowed Glycine 0 CA--C 1.476 -2.352 0 C-N-CA 126.271 1.891 . . . . 0.0 114.742 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 C--O 1.261 1.659 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -174.648 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 120.656 0.265 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.34 -14.55 82.25 Favored Glycine 0 C--N 1.359 1.825 0 O-C-N 120.546 -1.346 . . . . 0.0 113.994 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -76.25 -53.9 7.56 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.497 -1.59 . . . . 0.0 112.941 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 mt -68.36 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 O-C-N 120.495 -1.378 . . . . 0.0 110.257 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -42.15 98.75 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.426 1.49 . . . . 0.0 114.32 172.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.19 -12.49 83.16 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 120.308 -1.495 . . . . 0.0 114.983 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.44 2.07 56.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.506 -0.997 . . . . 0.0 110.725 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.9 tp -112.18 -36.31 5.37 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-O 122.662 1.22 . . . . 0.0 110.692 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.01 17.61 5.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.315 -1.49 . . . . 0.0 110.072 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.95 50.3 0.82 Allowed Glycine 0 CA--C 1.484 -1.903 0 C-N-CA 126.639 2.066 . . . . 0.0 114.244 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 CA--C 1.565 1.553 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.664 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.23 -14.17 82.13 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 120.352 -1.468 . . . . 0.0 113.535 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -73.82 -53.83 9.38 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.209 -1.171 . . . . 0.0 111.99 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.4 -25.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-O 123.219 1.485 . . . . 0.0 109.317 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.74 -28.05 44.87 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.82 1.648 . . . . 0.0 112.435 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.39 -22.43 47.7 Favored Glycine 0 C--N 1.359 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 113.134 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 mt -89.07 -1.93 58.33 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 120.801 -1.411 . . . . 0.0 112.394 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 tp -98.53 -22.56 15.93 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.864 1.316 . . . . 0.0 110.606 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -99.03 5.09 47.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 O-C-N 121.04 -1.037 . . . . 0.0 111.745 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.93 21.67 10.21 Favored Glycine 0 CA--C 1.486 -1.769 0 C-N-CA 124.643 1.116 . . . . 0.0 114.614 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--O 1.258 1.551 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -168.26 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 CA--C 1.516 -0.351 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -3.28 69.17 Favored Glycine 0 C--N 1.36 1.886 0 O-C-N 120.535 -1.353 . . . . 0.0 113.649 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -89.01 -57.46 2.89 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.223 -1.163 . . . . 0.0 110.704 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.9 -41.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 C-N-CA 124.643 1.177 . . . . 0.0 110.663 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.9 -32.53 74.09 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.499 -1.376 . . . . 0.0 114.34 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 -4.99 88.13 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.616 -1.303 . . . . 0.0 115.03 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -106.02 8.11 32.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 124.299 1.04 . . . . 0.0 110.229 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.5 tp -122.31 -37.41 2.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.34 1.543 . . . . 0.0 110.869 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.51 4.55 48.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 171.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.82 24.02 20.33 Favored Glycine 0 C--N 1.352 1.467 0 C-N-CA 127.873 2.654 . . . . 0.0 115.662 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.261 1.703 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -166.739 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 CA--C 1.511 -0.525 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.62 -23.87 69.15 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.822 -1.174 . . . . 0.0 114.347 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -69.35 -47.53 64.06 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.273 -1.133 . . . . 0.0 113.449 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -81.17 -22.9 10.62 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 122.793 1.283 . . . . 0.0 109.789 -174.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -75.24 -26.03 58.54 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.715 1.606 . . . . 0.0 113.48 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.58 22.52 Favored Glycine 0 C--N 1.361 1.962 0 O-C-N 120.305 -1.497 . . . . 0.0 113.359 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.96 -22.13 62.24 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 121.004 -1.292 . . . . 0.0 113.187 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp -90.64 5.06 49.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.564 0.697 . . . . 0.0 111.002 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.51 2.66 10.19 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.322 -0.861 . . . . 0.0 112.346 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.83 16.95 30.54 Favored Glycine 0 CA--C 1.495 -1.162 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--O 1.27 2.154 0 C-N-CA 125.358 1.463 . . . . 0.0 110.098 -171.34 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.516 -0.332 0 CA-C-O 121.551 0.691 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.21 -6.44 86.25 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 120.392 -1.443 . . . . 0.0 113.038 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -76.79 -54.5 6.54 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.788 -0.83 . . . . 0.0 110.921 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.56 -42.73 90.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 O-C-N 120.186 -1.572 . . . . 0.0 110.731 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.95 -38.35 88.18 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.3 -8.87 87.51 Favored Glycine 0 C--N 1.351 1.375 0 O-C-N 120.451 -1.406 . . . . 0.0 114.95 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -96.59 3.3 52.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.687 1.195 . . . . 0.0 111.265 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.5 tp -114.21 -38.37 4.15 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.541 1.162 . . . . 0.0 109.484 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -88.13 3.01 50.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.774 -1.204 . . . . 0.0 109.227 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.24 16.82 52.88 Favored Glycine 0 C--N 1.355 1.608 0 C-N-CA 126.993 2.235 . . . . 0.0 115.666 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.277 2.527 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -167.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--O 1.238 0.497 0 CA-C-O 121.122 0.487 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.04 -23.55 72.91 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.537 -1.352 . . . . 0.0 114.711 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -67.14 -50.33 61.65 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 121.281 -1.129 . . . . 0.0 113.681 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mt -75.31 -35.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 121.008 -1.057 . . . . 0.0 109.419 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.23 -40.77 95.25 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.59 58.99 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 120.505 -1.372 . . . . 0.0 114.563 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.75 -15.27 60.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -101.2 1.24 38.81 Favored 'General case' 0 CA--C 1.516 -0.359 0 O-C-N 121.255 -0.903 . . . . 0.0 112.82 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.43 15.35 20.15 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 121.374 -0.829 . . . . 0.0 113.531 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--O 1.257 1.448 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -168.435 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.89 -12.04 81.09 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 120.409 -1.432 . . . . 0.0 114.449 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -75.77 -50.03 16.43 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.503 -1.587 . . . . 0.0 111.793 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -75.84 -32.35 23.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.216 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.29 -38.18 90.13 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.17 -35.03 44.72 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.107 -1.621 . . . . 0.0 113.506 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.07 -33.05 74.89 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -79.91 -14.02 58.93 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.926 0.869 . . . . 0.0 112.954 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -100.98 -0.09 37.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.112 -0.992 . . . . 0.0 112.446 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.32 13.03 28.4 Favored Glycine 0 CA--C 1.49 -1.479 0 O-C-N 121.653 -0.655 . . . . 0.0 113.668 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 122.427 1.108 . . . . 0.0 113.285 -169.564 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.85 -16.94 70.89 Favored Glycine 0 C--N 1.357 1.74 0 O-C-N 119.774 -1.829 . . . . 0.0 113.681 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 m -72.21 -47.21 52.24 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 121.161 -1.2 . . . . 0.0 113.194 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.4 -16.59 9.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-O 122.765 1.269 . . . . 0.0 109.966 -175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tt -81.21 -24.74 37.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.639 1.176 . . . . 0.0 113.444 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -34.23 20.36 Favored Glycine 0 C--N 1.362 2.0 0 O-C-N 120.616 -1.302 . . . . 0.0 112.832 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.66 -21.49 62.6 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.63 -0.924 . . . . 0.0 113.396 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -91.42 2.46 56.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 122.017 0.913 . . . . 0.0 110.844 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -119.32 2.58 11.34 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.547 -1.346 . . . . 0.0 112.321 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.38 15.18 30.17 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--O 1.27 2.182 0 C-N-CA 125.165 1.386 . . . . 0.0 108.902 -172.534 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.39 0.614 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.96 -9.08 85.29 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 119.935 -1.728 . . . . 0.0 113.483 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -76.4 -51.93 10.89 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 120.857 -1.378 . . . . 0.0 112.521 174.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mt -69.37 -39.02 78.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 O-C-N 120.482 -1.386 . . . . 0.0 109.756 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.14 -35.87 82.48 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.43 -10.6 84.33 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 120.305 -1.497 . . . . 0.0 114.995 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 mt -96.23 6.39 48.92 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 125.282 1.433 . . . . 0.0 110.259 172.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.2 tp -115.43 -38.88 3.67 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.95 1.357 . . . . 0.0 108.824 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -89.83 3.73 52.02 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 121.363 -0.836 . . . . 0.0 110.158 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.99 33.69 5.07 Favored Glycine 0 CA--C 1.49 -1.481 0 C-N-CA 126.305 1.907 . . . . 0.0 114.264 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.258 1.537 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -173.104 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.07 -28.11 70.0 Favored Glycine 0 C--N 1.357 1.708 0 O-C-N 120.627 -1.296 . . . . 0.0 115.185 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -65.49 -49.8 67.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.976 -1.308 . . . . 0.0 114.43 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -78.05 -28.87 15.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 123.147 1.451 . . . . 0.0 109.317 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.09 -37.51 85.95 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 126.799 2.04 . . . . 0.0 114.122 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.65 -35.41 51.36 Favored Glycine 0 C--N 1.357 1.72 0 O-C-N 120.32 -1.488 . . . . 0.0 113.88 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.66 -28.61 67.85 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -80.69 -10.7 59.71 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 122.228 1.013 . . . . 0.0 112.182 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.89 1.91 31.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.322 -1.486 . . . . 0.0 112.91 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.14 16.61 22.51 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.718 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--O 1.266 1.929 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -162.007 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.236 0.372 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.16 -19.96 76.13 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 120.152 -1.593 . . . . 0.0 114.812 -176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -69.85 -51.47 33.16 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.085 -1.244 . . . . 0.0 112.445 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 mt -71.12 -35.66 59.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 120.829 -1.17 . . . . 0.0 109.657 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.56 -42.42 96.59 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 126.128 1.771 . . . . 0.0 113.837 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.64 -32.51 61.59 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 120.831 -1.168 . . . . 0.0 114.029 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.38 -17.44 61.82 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.693 -1.475 . . . . 0.0 113.355 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -91.8 -0.69 57.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.615 1.197 . . . . 0.0 111.485 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -112.21 4.58 17.91 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 120.003 -1.686 . . . . 0.0 112.357 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.59 22.17 8.33 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 123.742 0.687 . . . . 0.0 114.718 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--O 1.256 1.413 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 -164.232 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.29 -18.23 74.88 Favored Glycine 0 C--N 1.356 1.677 0 O-C-N 120.36 -1.463 . . . . 0.0 114.716 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -70.57 -52.13 23.74 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.262 -1.728 . . . . 0.0 112.931 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -76.99 -25.48 15.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 120.543 -1.348 . . . . 0.0 109.357 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.28 -41.35 89.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.981 1.712 . . . . 0.0 114.198 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.44 -31.77 56.23 Favored Glycine 0 C--N 1.361 1.964 0 O-C-N 120.576 -1.327 . . . . 0.0 113.361 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -73.03 -16.65 61.49 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 120.641 -1.505 . . . . 0.0 113.864 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.67 -6.32 46.61 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.361 1.077 . . . . 0.0 111.325 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.99 1.01 24.11 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 120.071 -1.643 . . . . 0.0 113.35 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.71 13.76 24.8 Favored Glycine 0 C--N 1.35 1.307 0 C-N-CA 123.453 0.549 . . . . 0.0 113.472 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.256 1.419 0 CA-C-O 121.733 0.777 . . . . 0.0 112.712 -172.785 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 C--O 1.237 0.413 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.37 -27.2 70.37 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 120.614 -1.304 . . . . 0.0 114.119 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -66.48 -48.56 69.49 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 123.588 0.755 . . . . 0.0 112.95 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -74.3 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 123.672 0.789 . . . . 0.0 110.801 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.28 -30.78 70.69 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.726 1.61 . . . . 0.0 113.741 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.58 -16.83 74.74 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 120.479 -1.388 . . . . 0.0 116.15 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.4 mt -95.43 9.13 41.11 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.21 -1.759 . . . . 0.0 111.533 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tp -120.67 25.21 9.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.428 1.109 . . . . 0.0 109.986 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -143.12 -17.7 0.66 Allowed 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.62 13.75 53.86 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.344 -0.848 . . . . 0.0 113.104 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.28 2.704 0 CA-C-O 117.031 -1.462 . . . . 0.0 113.398 -170.371 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.225 -0.227 0 CA-C-O 121.796 0.808 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.9 -13.84 78.74 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 120.639 -1.288 . . . . 0.0 114.722 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.1 m -71.99 -50.98 24.17 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.359 -1.083 . . . . 0.0 112.177 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 5' ' ' ILE . 3.6 mp -71.69 -39.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 121.326 -0.859 . . . . 0.0 110.472 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.49 -39.76 88.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.91 -39.0 64.86 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 120.781 -1.199 . . . . 0.0 114.056 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.37 -39.59 91.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.02 -15.99 61.51 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -173.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -97.98 2.38 48.9 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 121.023 -1.048 . . . . 0.0 112.618 -172.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.97 18.16 12.61 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-O 118.919 -0.934 . . . . 0.0 115.202 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 CA--C 1.567 1.608 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -160.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -7.01 81.54 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.66 -1.275 . . . . 0.0 113.851 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 m -79.45 -53.44 6.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.864 -1.374 . . . . 0.0 110.831 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -68.27 -42.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 120.793 -1.192 . . . . 0.0 110.473 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.56 -34.44 76.95 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 170.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.28 -8.18 87.83 Favored Glycine 0 C--N 1.36 1.913 0 O-C-N 120.847 -1.158 . . . . 0.0 114.756 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.04 3.76 44.32 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 124.589 1.156 . . . . 0.0 110.651 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.0 tp -110.44 -32.76 6.82 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.992 1.377 . . . . 0.0 109.666 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -93.11 13.8 19.86 Favored 'General case' 0 N--CA 1.438 -1.025 0 O-C-N 120.549 -1.345 . . . . 0.0 109.934 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.69 46.56 1.06 Allowed Glycine 0 C--N 1.353 1.498 0 C-N-CA 125.661 1.601 . . . . 0.0 113.37 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--O 1.26 1.635 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -171.766 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.255 2.7 pp . . . . . 0 N--CA 1.503 2.177 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -66.43 -34.86 78.89 Favored 'General case' 0 C--N 1.362 1.148 0 O-C-N 119.96 -1.712 . . . . 0.0 112.86 -179.227 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.76 89.11 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 120.027 -1.671 . . . . 0.0 114.437 170.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -93.9 -57.28 2.59 Favored 'General case' 0 CA--C 1.502 -0.872 0 O-C-N 119.893 -1.945 . . . . 0.0 111.686 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.55 -37.08 78.83 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 O-C-N 120.308 -1.495 . . . . 0.0 110.219 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -68.22 -36.66 79.86 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.767 2.027 . . . . 0.0 114.218 170.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.4 -14.61 79.91 Favored Glycine 0 C--N 1.358 1.787 0 O-C-N 119.652 -1.905 . . . . 0.0 113.998 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -94.06 5.32 52.09 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.108 1.363 . . . . 0.0 110.461 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -111.61 -36.08 5.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.469 1.128 . . . . 0.0 109.419 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -90.7 10.25 26.61 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.622 -1.298 . . . . 0.0 111.348 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.96 47.39 1.02 Allowed Glycine 0 C--N 1.358 1.758 0 C-N-CA 127.152 2.311 . . . . 0.0 113.573 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt -122.55 -175.93 3.26 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.557 1.143 . . . . 0.0 113.604 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.799 0 O-C-N 121.622 -0.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -127.13 -37.28 2.08 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.979 -1.076 . . . . 0.0 111.483 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.72 85.97 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 120.414 -1.429 . . . . 0.0 112.934 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 m -71.12 -55.56 7.93 Favored 'General case' 0 CA--C 1.511 -0.539 0 O-C-N 121.345 -1.091 . . . . 0.0 111.997 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mt -66.86 -41.33 87.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.96 -1.712 . . . . 0.0 110.601 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.22 -39.03 91.45 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.2 -10.66 82.15 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.043 1.306 . . . . 0.0 115.424 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.95 0.55 56.13 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 121.292 -1.123 . . . . 0.0 110.911 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 tp -116.26 -37.89 3.69 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.104 0.954 . . . . 0.0 110.513 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -88.1 5.37 41.49 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.195 -0.941 . . . . 0.0 108.724 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.7 23.84 18.74 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 127.125 2.298 . . . . 0.0 116.826 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -113.77 -141.37 0.38 Allowed 'General case' 0 CA--C 1.569 1.688 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -170.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.471 5.877 0 CA-C-N 118.294 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.7 pp . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -123.09 -39.99 2.44 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 120.934 -1.104 . . . . 0.0 110.679 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.26 -5.01 84.99 Favored Glycine 0 CA--C 1.487 -1.661 0 O-C-N 120.459 -1.401 . . . . 0.0 112.239 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -77.28 -55.38 5.46 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 121.292 -1.122 . . . . 0.0 111.586 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.34 -40.58 85.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 O-C-N 120.478 -1.389 . . . . 0.0 109.956 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.45 -36.46 84.25 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.54 -7.58 86.05 Favored Glycine 0 C--N 1.356 1.672 0 O-C-N 120.126 -1.609 . . . . 0.0 114.718 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -97.88 6.38 47.84 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.0 tp -118.45 -39.86 2.98 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 123.076 1.417 . . . . 0.0 109.535 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -84.52 -1.61 56.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.734 -1.229 . . . . 0.0 109.926 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.19 18.0 46.61 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 126.049 1.785 . . . . 0.0 116.474 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt -109.23 -136.05 0.36 Allowed 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -165.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.804 0 CA-C-N 118.182 0.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.8 -39.76 2.25 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.421 -0.799 . . . . 0.0 111.531 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.96 -15.07 81.21 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.576 -1.327 . . . . 0.0 112.988 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.8 m -68.58 -54.73 14.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.624 -0.927 . . . . 0.0 112.396 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -70.21 -36.33 67.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 120.456 -1.403 . . . . 0.0 109.912 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.24 -28.07 67.75 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 172.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.36 -29.13 25.66 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.538 -1.351 . . . . 0.0 113.423 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.17 -23.14 59.2 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.603 -0.939 . . . . 0.0 113.042 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tp -89.8 -15.09 33.08 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 122.924 1.345 . . . . 0.0 113.339 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -95.63 3.4 54.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.445 -1.41 . . . . 0.0 110.285 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.37 14.83 27.76 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 125.721 1.629 . . . . 0.0 115.673 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.68 174.09 7.36 Favored 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.777 0 O-C-N 121.888 -0.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.6 pt . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -100.85 -32.86 10.47 Favored 'General case' 0 CA--C 1.504 -0.804 0 O-C-N 120.452 -1.405 . . . . 0.0 111.756 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.27 -19.36 79.66 Favored Glycine 0 C--N 1.354 1.533 0 O-C-N 120.564 -1.335 . . . . 0.0 113.82 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 m -72.94 -56.56 4.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.322 -1.105 . . . . 0.0 113.511 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.32 -40.26 86.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 120.19 -1.569 . . . . 0.0 110.093 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -39.72 95.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.983 1.713 . . . . 0.0 114.879 173.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.96 -10.29 84.18 Favored Glycine 0 C--N 1.359 1.811 0 O-C-N 120.442 -1.411 . . . . 0.0 115.147 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.46 -0.62 56.35 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.26 -1.141 . . . . 0.0 110.806 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -110.38 -34.13 6.43 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 122.861 1.315 . . . . 0.0 111.202 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -90.97 16.71 9.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.937 -1.102 . . . . 0.0 109.58 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.07 44.44 1.19 Allowed Glycine 0 CA--C 1.476 -2.352 0 C-N-CA 126.271 1.891 . . . . 0.0 114.742 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.6 mt -123.8 -121.0 0.27 Allowed 'General case' 0 C--O 1.261 1.659 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.847 0 CA-C-N 118.067 0.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.8 pt . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.8 -33.43 8.42 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 120.823 -1.173 . . . . 0.0 111.474 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.34 -14.55 82.25 Favored Glycine 0 C--N 1.359 1.825 0 O-C-N 120.546 -1.346 . . . . 0.0 113.994 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -76.25 -53.9 7.56 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.497 -1.59 . . . . 0.0 112.941 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 mt -68.36 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 O-C-N 120.495 -1.378 . . . . 0.0 110.257 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -42.15 98.75 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.426 1.49 . . . . 0.0 114.32 172.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.19 -12.49 83.16 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 120.308 -1.495 . . . . 0.0 114.983 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.44 2.07 56.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.506 -0.997 . . . . 0.0 110.725 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.9 tp -112.18 -36.31 5.37 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-O 122.662 1.22 . . . . 0.0 110.692 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.01 17.61 5.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.315 -1.49 . . . . 0.0 110.072 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.95 50.3 0.82 Allowed Glycine 0 CA--C 1.484 -1.903 0 C-N-CA 126.639 2.066 . . . . 0.0 114.244 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.0 mt -123.19 -127.02 0.26 Allowed 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.814 0 CA-C-N 118.54 0.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.259 2.7 pp . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 121.789 0.804 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.06 -32.07 4.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.037 -1.04 . . . . 0.0 109.688 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.23 -14.17 82.13 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 120.352 -1.468 . . . . 0.0 113.535 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -73.82 -53.83 9.38 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.209 -1.171 . . . . 0.0 111.99 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.4 -25.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-O 123.219 1.485 . . . . 0.0 109.317 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.74 -28.05 44.87 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.82 1.648 . . . . 0.0 112.435 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.39 -22.43 47.7 Favored Glycine 0 C--N 1.359 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 113.134 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 mt -89.07 -1.93 58.33 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 120.801 -1.411 . . . . 0.0 112.394 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 tp -98.53 -22.56 15.93 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.864 1.316 . . . . 0.0 110.606 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -99.03 5.09 47.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 O-C-N 121.04 -1.037 . . . . 0.0 111.745 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.93 21.67 10.21 Favored Glycine 0 CA--C 1.486 -1.769 0 C-N-CA 124.643 1.116 . . . . 0.0 114.614 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -101.49 -114.58 0.19 Allowed 'General case' 0 C--O 1.258 1.551 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -168.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.811 0 O-C-N 121.392 -0.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.83 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.83 ' H ' HD12 ' A' ' 1' ' ' ILE . 22.0 mt -60.02 -43.97 94.93 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 127.041 2.136 . . . . 0.0 113.246 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -3.28 69.17 Favored Glycine 0 C--N 1.36 1.886 0 O-C-N 120.535 -1.353 . . . . 0.0 113.649 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -89.01 -57.46 2.89 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.223 -1.163 . . . . 0.0 110.704 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.9 -41.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 C-N-CA 124.643 1.177 . . . . 0.0 110.663 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.9 -32.53 74.09 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.499 -1.376 . . . . 0.0 114.34 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 -4.99 88.13 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.616 -1.303 . . . . 0.0 115.03 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -106.02 8.11 32.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 124.299 1.04 . . . . 0.0 110.229 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.5 tp -122.31 -37.41 2.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.34 1.543 . . . . 0.0 110.869 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.51 4.55 48.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 171.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.82 24.02 20.33 Favored Glycine 0 C--N 1.352 1.467 0 C-N-CA 127.873 2.654 . . . . 0.0 115.662 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -122.23 171.5 8.97 Favored 'General case' 0 C--O 1.261 1.703 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -166.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.836 0 O-C-N 122.415 -0.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.905 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.3 pp . . . . . 0 N--CA 1.498 1.963 0 CA-C-O 118.307 -0.854 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.905 ' H ' HD12 ' A' ' 1' ' ' ILE . 25.6 mt -63.83 -49.1 74.17 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.659 1.572 . . . . 0.0 113.621 -175.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.62 -23.87 69.15 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.822 -1.174 . . . . 0.0 114.347 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -69.35 -47.53 64.06 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.273 -1.133 . . . . 0.0 113.449 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -81.17 -22.9 10.62 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 122.793 1.283 . . . . 0.0 109.789 -174.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -75.24 -26.03 58.54 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.715 1.606 . . . . 0.0 113.48 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.58 22.52 Favored Glycine 0 C--N 1.361 1.962 0 O-C-N 120.305 -1.497 . . . . 0.0 113.359 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.96 -22.13 62.24 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 121.004 -1.292 . . . . 0.0 113.187 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp -90.64 5.06 49.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.564 0.697 . . . . 0.0 111.002 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.51 2.66 10.19 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.322 -0.861 . . . . 0.0 112.346 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.83 16.95 30.54 Favored Glycine 0 CA--C 1.495 -1.162 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.9 mt -118.1 -91.65 0.54 Allowed 'General case' 0 C--O 1.27 2.154 0 C-N-CA 125.358 1.463 . . . . 0.0 110.098 -171.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.801 0 CA-C-N 118.812 0.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.9 pt . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp -113.89 -43.32 3.28 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.223 -1.548 . . . . 0.0 111.295 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.21 -6.44 86.25 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 120.392 -1.443 . . . . 0.0 113.038 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -76.79 -54.5 6.54 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.788 -0.83 . . . . 0.0 110.921 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.56 -42.73 90.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 O-C-N 120.186 -1.572 . . . . 0.0 110.731 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.95 -38.35 88.18 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.3 -8.87 87.51 Favored Glycine 0 C--N 1.351 1.375 0 O-C-N 120.451 -1.406 . . . . 0.0 114.95 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -96.59 3.3 52.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.687 1.195 . . . . 0.0 111.265 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.5 tp -114.21 -38.37 4.15 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.541 1.162 . . . . 0.0 109.484 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -88.13 3.01 50.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.774 -1.204 . . . . 0.0 109.227 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.24 16.82 52.88 Favored Glycine 0 C--N 1.355 1.608 0 C-N-CA 126.993 2.235 . . . . 0.0 115.666 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.4 mt -116.88 11.79 14.53 Favored 'General case' 0 C--O 1.277 2.527 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -167.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.84 0 CA-C-N 120.421 1.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.43 ' O ' HD12 ' A' ' 1' ' ' ILE 0.316 2.7 pp . . . . . 0 N--CA 1.498 1.926 0 CA-C-O 122.582 1.182 . . . . 0.0 113.033 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp -101.31 -38.64 7.97 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 119.554 -1.966 . . . . 0.0 110.271 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.04 -23.55 72.91 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.537 -1.352 . . . . 0.0 114.711 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -67.14 -50.33 61.65 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 121.281 -1.129 . . . . 0.0 113.681 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mt -75.31 -35.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 121.008 -1.057 . . . . 0.0 109.419 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.23 -40.77 95.25 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.59 58.99 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 120.505 -1.372 . . . . 0.0 114.563 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.75 -15.27 60.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -101.2 1.24 38.81 Favored 'General case' 0 CA--C 1.516 -0.359 0 O-C-N 121.255 -0.903 . . . . 0.0 112.82 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.43 15.35 20.15 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 121.374 -0.829 . . . . 0.0 113.531 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 mt -113.6 -165.22 0.98 Allowed 'General case' 0 C--O 1.257 1.448 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -168.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.79 0 CA-C-N 115.651 -0.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.31 2.8 pp . . . . . 0 N--CA 1.505 2.279 0 CA-C-O 122.286 1.041 . . . . 0.0 112.304 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -110.65 -36.52 5.71 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.125 -1.609 . . . . 0.0 109.5 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.89 -12.04 81.09 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 120.409 -1.432 . . . . 0.0 114.449 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -75.77 -50.03 16.43 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.503 -1.587 . . . . 0.0 111.793 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -75.84 -32.35 23.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.216 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.29 -38.18 90.13 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.17 -35.03 44.72 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.107 -1.621 . . . . 0.0 113.506 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.07 -33.05 74.89 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -79.91 -14.02 58.93 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.926 0.869 . . . . 0.0 112.954 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -100.98 -0.09 37.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.112 -0.992 . . . . 0.0 112.446 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.32 13.03 28.4 Favored Glycine 0 CA--C 1.49 -1.479 0 O-C-N 121.653 -0.655 . . . . 0.0 113.668 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -111.59 179.79 3.92 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 122.427 1.108 . . . . 0.0 113.285 -169.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.831 0 CA-C-N 114.813 -1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.064 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.8 pp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.064 ' H ' HD12 ' A' ' 1' ' ' ILE . 25.6 mt -63.64 -46.77 84.15 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 127.001 2.12 . . . . 0.0 112.983 -176.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.85 -16.94 70.89 Favored Glycine 0 C--N 1.357 1.74 0 O-C-N 119.774 -1.829 . . . . 0.0 113.681 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 m -72.21 -47.21 52.24 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 121.161 -1.2 . . . . 0.0 113.194 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.4 -16.59 9.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-O 122.765 1.269 . . . . 0.0 109.966 -175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tt -81.21 -24.74 37.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.639 1.176 . . . . 0.0 113.444 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -34.23 20.36 Favored Glycine 0 C--N 1.362 2.0 0 O-C-N 120.616 -1.302 . . . . 0.0 112.832 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.66 -21.49 62.6 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.63 -0.924 . . . . 0.0 113.396 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -91.42 2.46 56.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 122.017 0.913 . . . . 0.0 110.844 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -119.32 2.58 11.34 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.547 -1.346 . . . . 0.0 112.321 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.38 15.18 30.17 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 mt -117.88 -100.77 0.43 Allowed 'General case' 0 C--O 1.27 2.182 0 C-N-CA 125.165 1.386 . . . . 0.0 108.902 -172.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.835 0 CA-C-N 119.35 0.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.1 -36.17 5.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 120.097 -1.627 . . . . 0.0 110.247 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.96 -9.08 85.29 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 119.935 -1.728 . . . . 0.0 113.483 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -76.4 -51.93 10.89 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 120.857 -1.378 . . . . 0.0 112.521 174.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mt -69.37 -39.02 78.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 O-C-N 120.482 -1.386 . . . . 0.0 109.756 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.14 -35.87 82.48 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.43 -10.6 84.33 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 120.305 -1.497 . . . . 0.0 114.995 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 mt -96.23 6.39 48.92 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 125.282 1.433 . . . . 0.0 110.259 172.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.2 tp -115.43 -38.88 3.67 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.95 1.357 . . . . 0.0 108.824 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -89.83 3.73 52.02 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 121.363 -0.836 . . . . 0.0 110.158 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.99 33.69 5.07 Favored Glycine 0 CA--C 1.49 -1.481 0 C-N-CA 126.305 1.907 . . . . 0.0 114.264 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 mt -114.87 -125.67 0.29 Allowed 'General case' 0 C--O 1.258 1.537 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -173.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.826 0 CA-C-N 118.733 0.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 122.046 0.927 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.3 mt -113.04 -38.59 4.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 120.814 -1.179 . . . . 0.0 108.998 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.07 -28.11 70.0 Favored Glycine 0 C--N 1.357 1.708 0 O-C-N 120.627 -1.296 . . . . 0.0 115.185 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -65.49 -49.8 67.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.976 -1.308 . . . . 0.0 114.43 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -78.05 -28.87 15.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 123.147 1.451 . . . . 0.0 109.317 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.09 -37.51 85.95 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 126.799 2.04 . . . . 0.0 114.122 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.65 -35.41 51.36 Favored Glycine 0 C--N 1.357 1.72 0 O-C-N 120.32 -1.488 . . . . 0.0 113.88 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.66 -28.61 67.85 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -80.69 -10.7 59.71 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 122.228 1.013 . . . . 0.0 112.182 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.89 1.91 31.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.322 -1.486 . . . . 0.0 112.91 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.14 16.61 22.51 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.718 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.0 mt -117.45 -125.64 0.28 Allowed 'General case' 0 C--O 1.266 1.929 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -162.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.471 5.858 0 O-C-N 120.247 -1.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.263 2.6 pp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.166 0.508 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp -107.06 -36.11 6.68 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 120.737 -1.227 . . . . 0.0 108.908 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.16 -19.96 76.13 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 120.152 -1.593 . . . . 0.0 114.812 -176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -69.85 -51.47 33.16 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.085 -1.244 . . . . 0.0 112.445 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 mt -71.12 -35.66 59.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 120.829 -1.17 . . . . 0.0 109.657 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.56 -42.42 96.59 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 126.128 1.771 . . . . 0.0 113.837 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.64 -32.51 61.59 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 120.831 -1.168 . . . . 0.0 114.029 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.38 -17.44 61.82 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.693 -1.475 . . . . 0.0 113.355 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -91.8 -0.69 57.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.615 1.197 . . . . 0.0 111.485 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -112.21 4.58 17.91 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 120.003 -1.686 . . . . 0.0 112.357 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.59 22.17 8.33 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 123.742 0.687 . . . . 0.0 114.718 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt -118.47 -127.88 0.28 Allowed 'General case' 0 C--O 1.256 1.413 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 -164.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.814 0 O-C-N 120.298 -1.501 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.46 -35.12 3.84 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.609 -0.682 . . . . 0.0 109.881 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.29 -18.23 74.88 Favored Glycine 0 C--N 1.356 1.677 0 O-C-N 120.36 -1.463 . . . . 0.0 114.716 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -70.57 -52.13 23.74 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.262 -1.728 . . . . 0.0 112.931 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -76.99 -25.48 15.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 120.543 -1.348 . . . . 0.0 109.357 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.28 -41.35 89.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.981 1.712 . . . . 0.0 114.198 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.44 -31.77 56.23 Favored Glycine 0 C--N 1.361 1.964 0 O-C-N 120.576 -1.327 . . . . 0.0 113.361 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -73.03 -16.65 61.49 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 120.641 -1.505 . . . . 0.0 113.864 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.67 -6.32 46.61 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.361 1.077 . . . . 0.0 111.325 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.99 1.01 24.11 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 120.071 -1.643 . . . . 0.0 113.35 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.71 13.76 24.8 Favored Glycine 0 C--N 1.35 1.307 0 C-N-CA 123.453 0.549 . . . . 0.0 113.472 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt -109.91 175.03 5.59 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-O 121.733 0.777 . . . . 0.0 112.712 -172.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.781 0 CA-C-N 116.055 -0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.59 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.505 2.306 0 CA-C-O 117.527 -1.225 . . . . 0.0 113.622 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.59 ' H ' HD12 ' A' ' 1' ' ' ILE . 35.0 mt -59.36 -51.28 70.61 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 121.871 2.123 . . . . 0.0 113.422 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.37 -27.2 70.37 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 120.614 -1.304 . . . . 0.0 114.119 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -66.48 -48.56 69.49 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 123.588 0.755 . . . . 0.0 112.95 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -74.3 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 123.672 0.789 . . . . 0.0 110.801 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.28 -30.78 70.69 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.726 1.61 . . . . 0.0 113.741 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.58 -16.83 74.74 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 120.479 -1.388 . . . . 0.0 116.15 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.4 mt -95.43 9.13 41.11 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.21 -1.759 . . . . 0.0 111.533 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tp -120.67 25.21 9.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.428 1.109 . . . . 0.0 109.986 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -143.12 -17.7 0.66 Allowed 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.62 13.75 53.86 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.344 -0.848 . . . . 0.0 113.104 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp -140.09 -44.7 0.42 Allowed 'General case' 0 C--O 1.28 2.704 0 CA-C-O 117.031 -1.462 . . . . 0.0 113.398 -170.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.829 0 CA-C-N 119.611 1.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -84.57 -32.58 23.73 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 118.834 -2.417 . . . . 0.0 112.42 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.9 -13.84 78.74 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 120.639 -1.288 . . . . 0.0 114.722 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.1 m -71.99 -50.98 24.17 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.359 -1.083 . . . . 0.0 112.177 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 5' ' ' ILE . 3.6 mp -71.69 -39.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 121.326 -0.859 . . . . 0.0 110.472 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.49 -39.76 88.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.91 -39.0 64.86 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 120.781 -1.199 . . . . 0.0 114.056 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.37 -39.59 91.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.02 -15.99 61.51 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -173.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -97.98 2.38 48.9 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 121.023 -1.048 . . . . 0.0 112.618 -172.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.97 18.16 12.61 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-O 118.919 -0.934 . . . . 0.0 115.202 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.8 -120.57 0.3 Allowed 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -160.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.798 0 O-C-N 120.9 -1.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.82 -43.02 98.75 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.654 -1.279 . . . . 0.0 113.358 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -7.01 81.54 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.66 -1.275 . . . . 0.0 113.851 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 m -79.45 -53.44 6.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.864 -1.374 . . . . 0.0 110.831 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -68.27 -42.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 120.793 -1.192 . . . . 0.0 110.473 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.56 -34.44 76.95 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 170.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.28 -8.18 87.83 Favored Glycine 0 C--N 1.36 1.913 0 O-C-N 120.847 -1.158 . . . . 0.0 114.756 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.04 3.76 44.32 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 124.589 1.156 . . . . 0.0 110.651 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.0 tp -110.44 -32.76 6.82 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.992 1.377 . . . . 0.0 109.666 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -93.11 13.8 19.86 Favored 'General case' 0 N--CA 1.438 -1.025 0 O-C-N 120.549 -1.345 . . . . 0.0 109.934 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.69 46.56 1.06 Allowed Glycine 0 C--N 1.353 1.498 0 C-N-CA 125.661 1.601 . . . . 0.0 113.37 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -125.8 -175.35 3.32 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -171.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.794 0 O-C-N 120.804 -1.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.21 -1.002 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.76 89.11 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 120.027 -1.671 . . . . 0.0 114.437 170.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -93.9 -57.28 2.59 Favored 'General case' 0 CA--C 1.502 -0.872 0 O-C-N 119.893 -1.945 . . . . 0.0 111.686 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.55 -37.08 78.83 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 O-C-N 120.308 -1.495 . . . . 0.0 110.219 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -68.22 -36.66 79.86 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.767 2.027 . . . . 0.0 114.218 170.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.4 -14.61 79.91 Favored Glycine 0 C--N 1.358 1.787 0 O-C-N 119.652 -1.905 . . . . 0.0 113.998 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -94.06 5.32 52.09 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.108 1.363 . . . . 0.0 110.461 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -111.61 -36.08 5.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.469 1.128 . . . . 0.0 109.419 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -90.7 10.25 26.61 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.622 -1.298 . . . . 0.0 111.348 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.96 47.39 1.02 Allowed Glycine 0 C--N 1.358 1.758 0 C-N-CA 127.152 2.311 . . . . 0.0 113.573 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.556 1.199 0 C-N-CA 124.557 1.143 . . . . 0.0 113.604 -176.461 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.579 0.704 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.72 85.97 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 120.414 -1.429 . . . . 0.0 112.934 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 m -71.12 -55.56 7.93 Favored 'General case' 0 CA--C 1.511 -0.539 0 O-C-N 121.345 -1.091 . . . . 0.0 111.997 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mt -66.86 -41.33 87.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.96 -1.712 . . . . 0.0 110.601 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.22 -39.03 91.45 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.2 -10.66 82.15 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.043 1.306 . . . . 0.0 115.424 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.95 0.55 56.13 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 121.292 -1.123 . . . . 0.0 110.911 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 tp -116.26 -37.89 3.69 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.104 0.954 . . . . 0.0 110.513 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -88.1 5.37 41.49 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.195 -0.941 . . . . 0.0 108.724 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.7 23.84 18.74 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 127.125 2.298 . . . . 0.0 116.826 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.569 1.688 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -170.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 CA--C 1.506 -0.716 0 CA-C-O 121.908 0.861 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.26 -5.01 84.99 Favored Glycine 0 CA--C 1.487 -1.661 0 O-C-N 120.459 -1.401 . . . . 0.0 112.239 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -77.28 -55.38 5.46 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 121.292 -1.122 . . . . 0.0 111.586 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.34 -40.58 85.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 O-C-N 120.478 -1.389 . . . . 0.0 109.956 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.45 -36.46 84.25 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.54 -7.58 86.05 Favored Glycine 0 C--N 1.356 1.672 0 O-C-N 120.126 -1.609 . . . . 0.0 114.718 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -97.88 6.38 47.84 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.0 tp -118.45 -39.86 2.98 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 123.076 1.417 . . . . 0.0 109.535 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -84.52 -1.61 56.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.734 -1.229 . . . . 0.0 109.926 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.19 18.0 46.61 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 126.049 1.785 . . . . 0.0 116.474 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 CA--C 1.577 1.983 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -165.764 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.212 0.53 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.96 -15.07 81.21 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.576 -1.327 . . . . 0.0 112.988 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.8 m -68.58 -54.73 14.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.624 -0.927 . . . . 0.0 112.396 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -70.21 -36.33 67.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 120.456 -1.403 . . . . 0.0 109.912 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.24 -28.07 67.75 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 172.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.36 -29.13 25.66 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.538 -1.351 . . . . 0.0 113.423 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.17 -23.14 59.2 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.603 -0.939 . . . . 0.0 113.042 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tp -89.8 -15.09 33.08 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 122.924 1.345 . . . . 0.0 113.339 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -95.63 3.4 54.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.445 -1.41 . . . . 0.0 110.285 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.37 14.83 27.76 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 125.721 1.629 . . . . 0.0 115.673 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.563 1.473 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.271 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.27 -19.36 79.66 Favored Glycine 0 C--N 1.354 1.533 0 O-C-N 120.564 -1.335 . . . . 0.0 113.82 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 m -72.94 -56.56 4.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.322 -1.105 . . . . 0.0 113.511 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.32 -40.26 86.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 120.19 -1.569 . . . . 0.0 110.093 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -39.72 95.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.983 1.713 . . . . 0.0 114.879 173.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.96 -10.29 84.18 Favored Glycine 0 C--N 1.359 1.811 0 O-C-N 120.442 -1.411 . . . . 0.0 115.147 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.46 -0.62 56.35 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.26 -1.141 . . . . 0.0 110.806 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -110.38 -34.13 6.43 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 122.861 1.315 . . . . 0.0 111.202 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -90.97 16.71 9.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.937 -1.102 . . . . 0.0 109.58 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.07 44.44 1.19 Allowed Glycine 0 CA--C 1.476 -2.352 0 C-N-CA 126.271 1.891 . . . . 0.0 114.742 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 C--O 1.261 1.659 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -174.648 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 120.656 0.265 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.34 -14.55 82.25 Favored Glycine 0 C--N 1.359 1.825 0 O-C-N 120.546 -1.346 . . . . 0.0 113.994 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -76.25 -53.9 7.56 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.497 -1.59 . . . . 0.0 112.941 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 mt -68.36 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 O-C-N 120.495 -1.378 . . . . 0.0 110.257 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -42.15 98.75 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.426 1.49 . . . . 0.0 114.32 172.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.19 -12.49 83.16 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 120.308 -1.495 . . . . 0.0 114.983 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.44 2.07 56.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.506 -0.997 . . . . 0.0 110.725 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.9 tp -112.18 -36.31 5.37 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-O 122.662 1.22 . . . . 0.0 110.692 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.01 17.61 5.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.315 -1.49 . . . . 0.0 110.072 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.95 50.3 0.82 Allowed Glycine 0 CA--C 1.484 -1.903 0 C-N-CA 126.639 2.066 . . . . 0.0 114.244 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 CA--C 1.565 1.553 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.664 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.23 -14.17 82.13 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 120.352 -1.468 . . . . 0.0 113.535 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -73.82 -53.83 9.38 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.209 -1.171 . . . . 0.0 111.99 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.4 -25.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-O 123.219 1.485 . . . . 0.0 109.317 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.74 -28.05 44.87 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.82 1.648 . . . . 0.0 112.435 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.39 -22.43 47.7 Favored Glycine 0 C--N 1.359 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 113.134 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 mt -89.07 -1.93 58.33 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 120.801 -1.411 . . . . 0.0 112.394 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 tp -98.53 -22.56 15.93 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.864 1.316 . . . . 0.0 110.606 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -99.03 5.09 47.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 O-C-N 121.04 -1.037 . . . . 0.0 111.745 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.93 21.67 10.21 Favored Glycine 0 CA--C 1.486 -1.769 0 C-N-CA 124.643 1.116 . . . . 0.0 114.614 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--O 1.258 1.551 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -168.26 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 CA--C 1.516 -0.351 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -3.28 69.17 Favored Glycine 0 C--N 1.36 1.886 0 O-C-N 120.535 -1.353 . . . . 0.0 113.649 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -89.01 -57.46 2.89 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.223 -1.163 . . . . 0.0 110.704 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.9 -41.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 C-N-CA 124.643 1.177 . . . . 0.0 110.663 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.9 -32.53 74.09 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.499 -1.376 . . . . 0.0 114.34 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 -4.99 88.13 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.616 -1.303 . . . . 0.0 115.03 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -106.02 8.11 32.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 124.299 1.04 . . . . 0.0 110.229 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.5 tp -122.31 -37.41 2.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.34 1.543 . . . . 0.0 110.869 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.51 4.55 48.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 171.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.82 24.02 20.33 Favored Glycine 0 C--N 1.352 1.467 0 C-N-CA 127.873 2.654 . . . . 0.0 115.662 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--O 1.261 1.703 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -166.739 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 CA--C 1.511 -0.525 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.62 -23.87 69.15 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.822 -1.174 . . . . 0.0 114.347 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -69.35 -47.53 64.06 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.273 -1.133 . . . . 0.0 113.449 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -81.17 -22.9 10.62 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 122.793 1.283 . . . . 0.0 109.789 -174.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -75.24 -26.03 58.54 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.715 1.606 . . . . 0.0 113.48 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.58 22.52 Favored Glycine 0 C--N 1.361 1.962 0 O-C-N 120.305 -1.497 . . . . 0.0 113.359 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.96 -22.13 62.24 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 121.004 -1.292 . . . . 0.0 113.187 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp -90.64 5.06 49.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.564 0.697 . . . . 0.0 111.002 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.51 2.66 10.19 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.322 -0.861 . . . . 0.0 112.346 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.83 16.95 30.54 Favored Glycine 0 CA--C 1.495 -1.162 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--O 1.27 2.154 0 C-N-CA 125.358 1.463 . . . . 0.0 110.098 -171.34 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.516 -0.332 0 CA-C-O 121.551 0.691 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.21 -6.44 86.25 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 120.392 -1.443 . . . . 0.0 113.038 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -76.79 -54.5 6.54 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.788 -0.83 . . . . 0.0 110.921 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.56 -42.73 90.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 O-C-N 120.186 -1.572 . . . . 0.0 110.731 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.95 -38.35 88.18 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.3 -8.87 87.51 Favored Glycine 0 C--N 1.351 1.375 0 O-C-N 120.451 -1.406 . . . . 0.0 114.95 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -96.59 3.3 52.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.687 1.195 . . . . 0.0 111.265 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.5 tp -114.21 -38.37 4.15 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.541 1.162 . . . . 0.0 109.484 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -88.13 3.01 50.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.774 -1.204 . . . . 0.0 109.227 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.24 16.82 52.88 Favored Glycine 0 C--N 1.355 1.608 0 C-N-CA 126.993 2.235 . . . . 0.0 115.666 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.277 2.527 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -167.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--O 1.238 0.497 0 CA-C-O 121.122 0.487 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.04 -23.55 72.91 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.537 -1.352 . . . . 0.0 114.711 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -67.14 -50.33 61.65 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 121.281 -1.129 . . . . 0.0 113.681 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mt -75.31 -35.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 121.008 -1.057 . . . . 0.0 109.419 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.23 -40.77 95.25 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.59 58.99 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 120.505 -1.372 . . . . 0.0 114.563 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.75 -15.27 60.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -101.2 1.24 38.81 Favored 'General case' 0 CA--C 1.516 -0.359 0 O-C-N 121.255 -0.903 . . . . 0.0 112.82 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.43 15.35 20.15 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 121.374 -0.829 . . . . 0.0 113.531 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--O 1.257 1.448 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -168.435 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.89 -12.04 81.09 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 120.409 -1.432 . . . . 0.0 114.449 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -75.77 -50.03 16.43 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.503 -1.587 . . . . 0.0 111.793 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -75.84 -32.35 23.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.216 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.29 -38.18 90.13 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.17 -35.03 44.72 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.107 -1.621 . . . . 0.0 113.506 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.07 -33.05 74.89 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -79.91 -14.02 58.93 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.926 0.869 . . . . 0.0 112.954 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -100.98 -0.09 37.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.112 -0.992 . . . . 0.0 112.446 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.32 13.03 28.4 Favored Glycine 0 CA--C 1.49 -1.479 0 O-C-N 121.653 -0.655 . . . . 0.0 113.668 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 122.427 1.108 . . . . 0.0 113.285 -169.564 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.85 -16.94 70.89 Favored Glycine 0 C--N 1.357 1.74 0 O-C-N 119.774 -1.829 . . . . 0.0 113.681 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 m -72.21 -47.21 52.24 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 121.161 -1.2 . . . . 0.0 113.194 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.4 -16.59 9.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-O 122.765 1.269 . . . . 0.0 109.966 -175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tt -81.21 -24.74 37.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.639 1.176 . . . . 0.0 113.444 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -34.23 20.36 Favored Glycine 0 C--N 1.362 2.0 0 O-C-N 120.616 -1.302 . . . . 0.0 112.832 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.66 -21.49 62.6 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.63 -0.924 . . . . 0.0 113.396 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -91.42 2.46 56.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 122.017 0.913 . . . . 0.0 110.844 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -119.32 2.58 11.34 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.547 -1.346 . . . . 0.0 112.321 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.38 15.18 30.17 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--O 1.27 2.182 0 C-N-CA 125.165 1.386 . . . . 0.0 108.902 -172.534 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.39 0.614 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.96 -9.08 85.29 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 119.935 -1.728 . . . . 0.0 113.483 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -76.4 -51.93 10.89 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 120.857 -1.378 . . . . 0.0 112.521 174.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mt -69.37 -39.02 78.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 O-C-N 120.482 -1.386 . . . . 0.0 109.756 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.14 -35.87 82.48 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.43 -10.6 84.33 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 120.305 -1.497 . . . . 0.0 114.995 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 mt -96.23 6.39 48.92 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 125.282 1.433 . . . . 0.0 110.259 172.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.2 tp -115.43 -38.88 3.67 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.95 1.357 . . . . 0.0 108.824 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -89.83 3.73 52.02 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 121.363 -0.836 . . . . 0.0 110.158 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.99 33.69 5.07 Favored Glycine 0 CA--C 1.49 -1.481 0 C-N-CA 126.305 1.907 . . . . 0.0 114.264 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.258 1.537 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -173.104 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.07 -28.11 70.0 Favored Glycine 0 C--N 1.357 1.708 0 O-C-N 120.627 -1.296 . . . . 0.0 115.185 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -65.49 -49.8 67.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.976 -1.308 . . . . 0.0 114.43 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -78.05 -28.87 15.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 123.147 1.451 . . . . 0.0 109.317 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.09 -37.51 85.95 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 126.799 2.04 . . . . 0.0 114.122 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.65 -35.41 51.36 Favored Glycine 0 C--N 1.357 1.72 0 O-C-N 120.32 -1.488 . . . . 0.0 113.88 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.66 -28.61 67.85 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -80.69 -10.7 59.71 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 122.228 1.013 . . . . 0.0 112.182 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.89 1.91 31.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.322 -1.486 . . . . 0.0 112.91 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.14 16.61 22.51 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.718 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--O 1.266 1.929 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -162.007 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.236 0.372 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.16 -19.96 76.13 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 120.152 -1.593 . . . . 0.0 114.812 -176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -69.85 -51.47 33.16 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.085 -1.244 . . . . 0.0 112.445 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 mt -71.12 -35.66 59.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 120.829 -1.17 . . . . 0.0 109.657 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.56 -42.42 96.59 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 126.128 1.771 . . . . 0.0 113.837 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.64 -32.51 61.59 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 120.831 -1.168 . . . . 0.0 114.029 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.38 -17.44 61.82 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.693 -1.475 . . . . 0.0 113.355 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -91.8 -0.69 57.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.615 1.197 . . . . 0.0 111.485 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -112.21 4.58 17.91 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 120.003 -1.686 . . . . 0.0 112.357 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.59 22.17 8.33 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 123.742 0.687 . . . . 0.0 114.718 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--O 1.256 1.413 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 -164.232 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.29 -18.23 74.88 Favored Glycine 0 C--N 1.356 1.677 0 O-C-N 120.36 -1.463 . . . . 0.0 114.716 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -70.57 -52.13 23.74 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.262 -1.728 . . . . 0.0 112.931 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -76.99 -25.48 15.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 120.543 -1.348 . . . . 0.0 109.357 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.28 -41.35 89.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.981 1.712 . . . . 0.0 114.198 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.44 -31.77 56.23 Favored Glycine 0 C--N 1.361 1.964 0 O-C-N 120.576 -1.327 . . . . 0.0 113.361 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -73.03 -16.65 61.49 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 120.641 -1.505 . . . . 0.0 113.864 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.67 -6.32 46.61 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.361 1.077 . . . . 0.0 111.325 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.99 1.01 24.11 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 120.071 -1.643 . . . . 0.0 113.35 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.71 13.76 24.8 Favored Glycine 0 C--N 1.35 1.307 0 C-N-CA 123.453 0.549 . . . . 0.0 113.472 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.256 1.419 0 CA-C-O 121.733 0.777 . . . . 0.0 112.712 -172.785 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 C--O 1.237 0.413 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.37 -27.2 70.37 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 120.614 -1.304 . . . . 0.0 114.119 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -66.48 -48.56 69.49 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 123.588 0.755 . . . . 0.0 112.95 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -74.3 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 123.672 0.789 . . . . 0.0 110.801 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.28 -30.78 70.69 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.726 1.61 . . . . 0.0 113.741 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.58 -16.83 74.74 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 120.479 -1.388 . . . . 0.0 116.15 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.4 mt -95.43 9.13 41.11 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.21 -1.759 . . . . 0.0 111.533 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tp -120.67 25.21 9.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.428 1.109 . . . . 0.0 109.986 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -143.12 -17.7 0.66 Allowed 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.62 13.75 53.86 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.344 -0.848 . . . . 0.0 113.104 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.28 2.704 0 CA-C-O 117.031 -1.462 . . . . 0.0 113.398 -170.371 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.225 -0.227 0 CA-C-O 121.796 0.808 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.9 -13.84 78.74 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 120.639 -1.288 . . . . 0.0 114.722 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.1 m -71.99 -50.98 24.17 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.359 -1.083 . . . . 0.0 112.177 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 5' ' ' ILE . 3.6 mp -71.69 -39.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 121.326 -0.859 . . . . 0.0 110.472 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.49 -39.76 88.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.91 -39.0 64.86 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 120.781 -1.199 . . . . 0.0 114.056 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.37 -39.59 91.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.02 -15.99 61.51 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -173.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -97.98 2.38 48.9 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 121.023 -1.048 . . . . 0.0 112.618 -172.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.97 18.16 12.61 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-O 118.919 -0.934 . . . . 0.0 115.202 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 CA--C 1.567 1.608 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -160.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -7.01 81.54 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.66 -1.275 . . . . 0.0 113.851 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 m -79.45 -53.44 6.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.864 -1.374 . . . . 0.0 110.831 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -68.27 -42.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 120.793 -1.192 . . . . 0.0 110.473 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.56 -34.44 76.95 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 170.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.28 -8.18 87.83 Favored Glycine 0 C--N 1.36 1.913 0 O-C-N 120.847 -1.158 . . . . 0.0 114.756 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.04 3.76 44.32 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 124.589 1.156 . . . . 0.0 110.651 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.0 tp -110.44 -32.76 6.82 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.992 1.377 . . . . 0.0 109.666 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -93.11 13.8 19.86 Favored 'General case' 0 N--CA 1.438 -1.025 0 O-C-N 120.549 -1.345 . . . . 0.0 109.934 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.69 46.56 1.06 Allowed Glycine 0 C--N 1.353 1.498 0 C-N-CA 125.661 1.601 . . . . 0.0 113.37 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--O 1.26 1.635 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -171.766 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.255 2.7 pp . . . . . 0 N--CA 1.503 2.177 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -66.43 -34.86 78.89 Favored 'General case' 0 C--N 1.362 1.148 0 O-C-N 119.96 -1.712 . . . . 0.0 112.86 -179.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.76 89.11 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 120.027 -1.671 . . . . 0.0 114.437 170.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -93.9 -57.28 2.59 Favored 'General case' 0 CA--C 1.502 -0.872 0 O-C-N 119.893 -1.945 . . . . 0.0 111.686 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.55 -37.08 78.83 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 O-C-N 120.308 -1.495 . . . . 0.0 110.219 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -68.22 -36.66 79.86 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.767 2.027 . . . . 0.0 114.218 170.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.4 -14.61 79.91 Favored Glycine 0 C--N 1.358 1.787 0 O-C-N 119.652 -1.905 . . . . 0.0 113.998 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -94.06 5.32 52.09 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.108 1.363 . . . . 0.0 110.461 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -111.61 -36.08 5.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.469 1.128 . . . . 0.0 109.419 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -90.7 10.25 26.61 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.622 -1.298 . . . . 0.0 111.348 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.96 47.39 1.02 Allowed Glycine 0 C--N 1.358 1.758 0 C-N-CA 127.152 2.311 . . . . 0.0 113.573 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt -122.55 -175.93 3.26 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.557 1.143 . . . . 0.0 113.604 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.799 0 O-C-N 121.622 -0.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -127.13 -37.28 2.08 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.979 -1.076 . . . . 0.0 111.483 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.72 85.97 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 120.414 -1.429 . . . . 0.0 112.934 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 m -71.12 -55.56 7.93 Favored 'General case' 0 CA--C 1.511 -0.539 0 O-C-N 121.345 -1.091 . . . . 0.0 111.997 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mt -66.86 -41.33 87.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.96 -1.712 . . . . 0.0 110.601 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.22 -39.03 91.45 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.2 -10.66 82.15 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.043 1.306 . . . . 0.0 115.424 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.95 0.55 56.13 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 121.292 -1.123 . . . . 0.0 110.911 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 tp -116.26 -37.89 3.69 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.104 0.954 . . . . 0.0 110.513 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -88.1 5.37 41.49 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.195 -0.941 . . . . 0.0 108.724 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.7 23.84 18.74 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 127.125 2.298 . . . . 0.0 116.826 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -113.77 -141.37 0.38 Allowed 'General case' 0 CA--C 1.569 1.688 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -170.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.471 5.877 0 CA-C-N 118.294 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.7 pp . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -123.09 -39.99 2.44 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 120.934 -1.104 . . . . 0.0 110.679 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.26 -5.01 84.99 Favored Glycine 0 CA--C 1.487 -1.661 0 O-C-N 120.459 -1.401 . . . . 0.0 112.239 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -77.28 -55.38 5.46 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 121.292 -1.122 . . . . 0.0 111.586 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.34 -40.58 85.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 O-C-N 120.478 -1.389 . . . . 0.0 109.956 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.45 -36.46 84.25 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.54 -7.58 86.05 Favored Glycine 0 C--N 1.356 1.672 0 O-C-N 120.126 -1.609 . . . . 0.0 114.718 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -97.88 6.38 47.84 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.0 tp -118.45 -39.86 2.98 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 123.076 1.417 . . . . 0.0 109.535 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -84.52 -1.61 56.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.734 -1.229 . . . . 0.0 109.926 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.19 18.0 46.61 Favored Glycine 0 C--N 1.347 1.182 0 C-N-CA 126.049 1.785 . . . . 0.0 116.474 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt -109.23 -136.05 0.36 Allowed 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -165.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.804 0 CA-C-N 118.182 0.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.8 -39.76 2.25 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.421 -0.799 . . . . 0.0 111.531 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.96 -15.07 81.21 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.576 -1.327 . . . . 0.0 112.988 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.8 m -68.58 -54.73 14.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.624 -0.927 . . . . 0.0 112.396 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -70.21 -36.33 67.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 120.456 -1.403 . . . . 0.0 109.912 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.24 -28.07 67.75 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 172.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.36 -29.13 25.66 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.538 -1.351 . . . . 0.0 113.423 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.17 -23.14 59.2 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.603 -0.939 . . . . 0.0 113.042 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tp -89.8 -15.09 33.08 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 122.924 1.345 . . . . 0.0 113.339 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -95.63 3.4 54.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.445 -1.41 . . . . 0.0 110.285 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.37 14.83 27.76 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 125.721 1.629 . . . . 0.0 115.673 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.68 174.09 7.36 Favored 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.777 0 O-C-N 121.888 -0.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.6 pt . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -100.85 -32.86 10.47 Favored 'General case' 0 CA--C 1.504 -0.804 0 O-C-N 120.452 -1.405 . . . . 0.0 111.756 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.27 -19.36 79.66 Favored Glycine 0 C--N 1.354 1.533 0 O-C-N 120.564 -1.335 . . . . 0.0 113.82 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.6 m -72.94 -56.56 4.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.322 -1.105 . . . . 0.0 113.511 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.32 -40.26 86.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 120.19 -1.569 . . . . 0.0 110.093 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -39.72 95.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.983 1.713 . . . . 0.0 114.879 173.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.96 -10.29 84.18 Favored Glycine 0 C--N 1.359 1.811 0 O-C-N 120.442 -1.411 . . . . 0.0 115.147 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.46 -0.62 56.35 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.26 -1.141 . . . . 0.0 110.806 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -110.38 -34.13 6.43 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 122.861 1.315 . . . . 0.0 111.202 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -90.97 16.71 9.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.937 -1.102 . . . . 0.0 109.58 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.07 44.44 1.19 Allowed Glycine 0 CA--C 1.476 -2.352 0 C-N-CA 126.271 1.891 . . . . 0.0 114.742 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.6 mt -123.8 -121.0 0.27 Allowed 'General case' 0 C--O 1.261 1.659 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.847 0 CA-C-N 118.067 0.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.8 pt . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.8 -33.43 8.42 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 120.823 -1.173 . . . . 0.0 111.474 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.34 -14.55 82.25 Favored Glycine 0 C--N 1.359 1.825 0 O-C-N 120.546 -1.346 . . . . 0.0 113.994 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -76.25 -53.9 7.56 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 120.497 -1.59 . . . . 0.0 112.941 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 mt -68.36 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 O-C-N 120.495 -1.378 . . . . 0.0 110.257 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -42.15 98.75 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.426 1.49 . . . . 0.0 114.32 172.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.19 -12.49 83.16 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 120.308 -1.495 . . . . 0.0 114.983 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -93.44 2.07 56.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.506 -0.997 . . . . 0.0 110.725 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.9 tp -112.18 -36.31 5.37 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-O 122.662 1.22 . . . . 0.0 110.692 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.01 17.61 5.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.315 -1.49 . . . . 0.0 110.072 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.95 50.3 0.82 Allowed Glycine 0 CA--C 1.484 -1.903 0 C-N-CA 126.639 2.066 . . . . 0.0 114.244 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.0 mt -123.19 -127.02 0.26 Allowed 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.814 0 CA-C-N 118.54 0.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.259 2.7 pp . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 121.789 0.804 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.06 -32.07 4.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.037 -1.04 . . . . 0.0 109.688 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.23 -14.17 82.13 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 120.352 -1.468 . . . . 0.0 113.535 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -73.82 -53.83 9.38 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.209 -1.171 . . . . 0.0 111.99 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.4 -25.38 21.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-O 123.219 1.485 . . . . 0.0 109.317 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.74 -28.05 44.87 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.82 1.648 . . . . 0.0 112.435 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.39 -22.43 47.7 Favored Glycine 0 C--N 1.359 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 113.134 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 mt -89.07 -1.93 58.33 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 120.801 -1.411 . . . . 0.0 112.394 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 tp -98.53 -22.56 15.93 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.864 1.316 . . . . 0.0 110.606 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -99.03 5.09 47.23 Favored 'General case' 0 CA--C 1.514 -0.414 0 O-C-N 121.04 -1.037 . . . . 0.0 111.745 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.93 21.67 10.21 Favored Glycine 0 CA--C 1.486 -1.769 0 C-N-CA 124.643 1.116 . . . . 0.0 114.614 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -101.49 -114.58 0.19 Allowed 'General case' 0 C--O 1.258 1.551 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -168.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.811 0 O-C-N 121.392 -0.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.83 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.83 ' H ' HD12 ' A' ' 1' ' ' ILE . 22.0 mt -60.02 -43.97 94.93 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 127.041 2.136 . . . . 0.0 113.246 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -3.28 69.17 Favored Glycine 0 C--N 1.36 1.886 0 O-C-N 120.535 -1.353 . . . . 0.0 113.649 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -89.01 -57.46 2.89 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.223 -1.163 . . . . 0.0 110.704 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.9 -41.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 C-N-CA 124.643 1.177 . . . . 0.0 110.663 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.9 -32.53 74.09 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.499 -1.376 . . . . 0.0 114.34 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 -4.99 88.13 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.616 -1.303 . . . . 0.0 115.03 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -106.02 8.11 32.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 124.299 1.04 . . . . 0.0 110.229 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.5 tp -122.31 -37.41 2.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.34 1.543 . . . . 0.0 110.869 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.51 4.55 48.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 171.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.82 24.02 20.33 Favored Glycine 0 C--N 1.352 1.467 0 C-N-CA 127.873 2.654 . . . . 0.0 115.662 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -122.23 171.5 8.97 Favored 'General case' 0 C--O 1.261 1.703 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -166.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.836 0 O-C-N 122.415 -0.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.905 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.3 pp . . . . . 0 N--CA 1.498 1.963 0 CA-C-O 118.307 -0.854 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.905 ' H ' HD12 ' A' ' 1' ' ' ILE . 25.6 mt -63.83 -49.1 74.17 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.659 1.572 . . . . 0.0 113.621 -175.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.62 -23.87 69.15 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.822 -1.174 . . . . 0.0 114.347 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -69.35 -47.53 64.06 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.273 -1.133 . . . . 0.0 113.449 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -81.17 -22.9 10.62 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 122.793 1.283 . . . . 0.0 109.789 -174.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -75.24 -26.03 58.54 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.715 1.606 . . . . 0.0 113.48 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.58 22.52 Favored Glycine 0 C--N 1.361 1.962 0 O-C-N 120.305 -1.497 . . . . 0.0 113.359 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.96 -22.13 62.24 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 121.004 -1.292 . . . . 0.0 113.187 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp -90.64 5.06 49.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.564 0.697 . . . . 0.0 111.002 -178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -121.51 2.66 10.19 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.322 -0.861 . . . . 0.0 112.346 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.83 16.95 30.54 Favored Glycine 0 CA--C 1.495 -1.162 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.9 mt -118.1 -91.65 0.54 Allowed 'General case' 0 C--O 1.27 2.154 0 C-N-CA 125.358 1.463 . . . . 0.0 110.098 -171.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.801 0 CA-C-N 118.812 0.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.9 pt . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp -113.89 -43.32 3.28 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.223 -1.548 . . . . 0.0 111.295 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.21 -6.44 86.25 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 120.392 -1.443 . . . . 0.0 113.038 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -76.79 -54.5 6.54 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.788 -0.83 . . . . 0.0 110.921 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.56 -42.73 90.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 O-C-N 120.186 -1.572 . . . . 0.0 110.731 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.95 -38.35 88.18 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.3 -8.87 87.51 Favored Glycine 0 C--N 1.351 1.375 0 O-C-N 120.451 -1.406 . . . . 0.0 114.95 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -96.59 3.3 52.67 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.687 1.195 . . . . 0.0 111.265 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.5 tp -114.21 -38.37 4.15 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.541 1.162 . . . . 0.0 109.484 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -88.13 3.01 50.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.774 -1.204 . . . . 0.0 109.227 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.24 16.82 52.88 Favored Glycine 0 C--N 1.355 1.608 0 C-N-CA 126.993 2.235 . . . . 0.0 115.666 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.4 mt -116.88 11.79 14.53 Favored 'General case' 0 C--O 1.277 2.527 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -167.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.84 0 CA-C-N 120.421 1.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.43 ' O ' HD12 ' A' ' 1' ' ' ILE 0.316 2.7 pp . . . . . 0 N--CA 1.498 1.926 0 CA-C-O 122.582 1.182 . . . . 0.0 113.033 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp -101.31 -38.64 7.97 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 119.554 -1.966 . . . . 0.0 110.271 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.04 -23.55 72.91 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 120.537 -1.352 . . . . 0.0 114.711 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -67.14 -50.33 61.65 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 121.281 -1.129 . . . . 0.0 113.681 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mt -75.31 -35.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 121.008 -1.057 . . . . 0.0 109.419 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.23 -40.77 95.25 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.59 58.99 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 120.505 -1.372 . . . . 0.0 114.563 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.09 -36.79 82.77 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.75 -15.27 60.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -101.2 1.24 38.81 Favored 'General case' 0 CA--C 1.516 -0.359 0 O-C-N 121.255 -0.903 . . . . 0.0 112.82 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.43 15.35 20.15 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 121.374 -0.829 . . . . 0.0 113.531 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 mt -113.6 -165.22 0.98 Allowed 'General case' 0 C--O 1.257 1.448 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -168.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.79 0 CA-C-N 115.651 -0.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.31 2.8 pp . . . . . 0 N--CA 1.505 2.279 0 CA-C-O 122.286 1.041 . . . . 0.0 112.304 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -110.65 -36.52 5.71 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.125 -1.609 . . . . 0.0 109.5 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.89 -12.04 81.09 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 120.409 -1.432 . . . . 0.0 114.449 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -75.77 -50.03 16.43 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.503 -1.587 . . . . 0.0 111.793 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.0 mt -75.84 -32.35 23.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.216 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.29 -38.18 90.13 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.17 -35.03 44.72 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 120.107 -1.621 . . . . 0.0 113.506 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.07 -33.05 74.89 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -79.91 -14.02 58.93 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.926 0.869 . . . . 0.0 112.954 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -100.98 -0.09 37.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.112 -0.992 . . . . 0.0 112.446 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.32 13.03 28.4 Favored Glycine 0 CA--C 1.49 -1.479 0 O-C-N 121.653 -0.655 . . . . 0.0 113.668 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -111.59 179.79 3.92 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 122.427 1.108 . . . . 0.0 113.285 -169.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.831 0 CA-C-N 114.813 -1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.064 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.8 pp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.064 ' H ' HD12 ' A' ' 1' ' ' ILE . 25.6 mt -63.64 -46.77 84.15 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 127.001 2.12 . . . . 0.0 112.983 -176.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.85 -16.94 70.89 Favored Glycine 0 C--N 1.357 1.74 0 O-C-N 119.774 -1.829 . . . . 0.0 113.681 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 m -72.21 -47.21 52.24 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 121.161 -1.2 . . . . 0.0 113.194 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -86.4 -16.59 9.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 CA-C-O 122.765 1.269 . . . . 0.0 109.966 -175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tt -81.21 -24.74 37.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.639 1.176 . . . . 0.0 113.444 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 -34.23 20.36 Favored Glycine 0 C--N 1.362 2.0 0 O-C-N 120.616 -1.302 . . . . 0.0 112.832 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.66 -21.49 62.6 Favored 'General case' 0 CA--C 1.502 -0.877 0 O-C-N 121.63 -0.924 . . . . 0.0 113.396 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -91.42 2.46 56.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 122.017 0.913 . . . . 0.0 110.844 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -119.32 2.58 11.34 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.547 -1.346 . . . . 0.0 112.321 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.38 15.18 30.17 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 mt -117.88 -100.77 0.43 Allowed 'General case' 0 C--O 1.27 2.182 0 C-N-CA 125.165 1.386 . . . . 0.0 108.902 -172.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.835 0 CA-C-N 119.35 0.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.1 -36.17 5.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 120.097 -1.627 . . . . 0.0 110.247 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.96 -9.08 85.29 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 119.935 -1.728 . . . . 0.0 113.483 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -76.4 -51.93 10.89 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 120.857 -1.378 . . . . 0.0 112.521 174.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mt -69.37 -39.02 78.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 O-C-N 120.482 -1.386 . . . . 0.0 109.756 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.14 -35.87 82.48 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.43 -10.6 84.33 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 120.305 -1.497 . . . . 0.0 114.995 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 mt -96.23 6.39 48.92 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 125.282 1.433 . . . . 0.0 110.259 172.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.2 tp -115.43 -38.88 3.67 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.95 1.357 . . . . 0.0 108.824 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -89.83 3.73 52.02 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 121.363 -0.836 . . . . 0.0 110.158 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.99 33.69 5.07 Favored Glycine 0 CA--C 1.49 -1.481 0 C-N-CA 126.305 1.907 . . . . 0.0 114.264 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 mt -114.87 -125.67 0.29 Allowed 'General case' 0 C--O 1.258 1.537 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -173.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.826 0 CA-C-N 118.733 0.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 122.046 0.927 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.3 mt -113.04 -38.59 4.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 120.814 -1.179 . . . . 0.0 108.998 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.07 -28.11 70.0 Favored Glycine 0 C--N 1.357 1.708 0 O-C-N 120.627 -1.296 . . . . 0.0 115.185 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -65.49 -49.8 67.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.976 -1.308 . . . . 0.0 114.43 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -78.05 -28.87 15.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 123.147 1.451 . . . . 0.0 109.317 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.09 -37.51 85.95 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 126.799 2.04 . . . . 0.0 114.122 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.65 -35.41 51.36 Favored Glycine 0 C--N 1.357 1.72 0 O-C-N 120.32 -1.488 . . . . 0.0 113.88 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.66 -28.61 67.85 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -80.69 -10.7 59.71 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 122.228 1.013 . . . . 0.0 112.182 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.89 1.91 31.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.322 -1.486 . . . . 0.0 112.91 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.14 16.61 22.51 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.718 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.0 mt -117.45 -125.64 0.28 Allowed 'General case' 0 C--O 1.266 1.929 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -162.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.471 5.858 0 O-C-N 120.247 -1.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.263 2.6 pp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.166 0.508 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp -107.06 -36.11 6.68 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 120.737 -1.227 . . . . 0.0 108.908 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.16 -19.96 76.13 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 120.152 -1.593 . . . . 0.0 114.812 -176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -69.85 -51.47 33.16 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.085 -1.244 . . . . 0.0 112.445 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 mt -71.12 -35.66 59.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 120.829 -1.17 . . . . 0.0 109.657 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.56 -42.42 96.59 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 126.128 1.771 . . . . 0.0 113.837 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.64 -32.51 61.59 Favored Glycine 0 C--N 1.36 1.909 0 O-C-N 120.831 -1.168 . . . . 0.0 114.029 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.38 -17.44 61.82 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.693 -1.475 . . . . 0.0 113.355 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -91.8 -0.69 57.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 122.615 1.197 . . . . 0.0 111.485 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -112.21 4.58 17.91 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 120.003 -1.686 . . . . 0.0 112.357 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.59 22.17 8.33 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 123.742 0.687 . . . . 0.0 114.718 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt -118.47 -127.88 0.28 Allowed 'General case' 0 C--O 1.256 1.413 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 -164.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.814 0 O-C-N 120.298 -1.501 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.46 -35.12 3.84 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.609 -0.682 . . . . 0.0 109.881 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.29 -18.23 74.88 Favored Glycine 0 C--N 1.356 1.677 0 O-C-N 120.36 -1.463 . . . . 0.0 114.716 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -70.57 -52.13 23.74 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.262 -1.728 . . . . 0.0 112.931 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mt -76.99 -25.48 15.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 120.543 -1.348 . . . . 0.0 109.357 -174.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.28 -41.35 89.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.981 1.712 . . . . 0.0 114.198 174.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.44 -31.77 56.23 Favored Glycine 0 C--N 1.361 1.964 0 O-C-N 120.576 -1.327 . . . . 0.0 113.361 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 mt -73.03 -16.65 61.49 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 120.641 -1.505 . . . . 0.0 113.864 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.67 -6.32 46.61 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.361 1.077 . . . . 0.0 111.325 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.99 1.01 24.11 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 120.071 -1.643 . . . . 0.0 113.35 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.71 13.76 24.8 Favored Glycine 0 C--N 1.35 1.307 0 C-N-CA 123.453 0.549 . . . . 0.0 113.472 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt -109.91 175.03 5.59 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-O 121.733 0.777 . . . . 0.0 112.712 -172.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.781 0 CA-C-N 116.055 -0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.59 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.505 2.306 0 CA-C-O 117.527 -1.225 . . . . 0.0 113.622 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.59 ' H ' HD12 ' A' ' 1' ' ' ILE . 35.0 mt -59.36 -51.28 70.61 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 121.871 2.123 . . . . 0.0 113.422 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.37 -27.2 70.37 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 120.614 -1.304 . . . . 0.0 114.119 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -66.48 -48.56 69.49 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 123.588 0.755 . . . . 0.0 112.95 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -74.3 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 123.672 0.789 . . . . 0.0 110.801 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.28 -30.78 70.69 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.726 1.61 . . . . 0.0 113.741 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.58 -16.83 74.74 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 120.479 -1.388 . . . . 0.0 116.15 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.4 mt -95.43 9.13 41.11 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.21 -1.759 . . . . 0.0 111.533 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tp -120.67 25.21 9.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 122.428 1.109 . . . . 0.0 109.986 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -143.12 -17.7 0.66 Allowed 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.62 13.75 53.86 Favored Glycine 0 C--N 1.353 1.523 0 O-C-N 121.344 -0.848 . . . . 0.0 113.104 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp -140.09 -44.7 0.42 Allowed 'General case' 0 C--O 1.28 2.704 0 CA-C-O 117.031 -1.462 . . . . 0.0 113.398 -170.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.47 5.829 0 CA-C-N 119.611 1.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -84.57 -32.58 23.73 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 118.834 -2.417 . . . . 0.0 112.42 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.9 -13.84 78.74 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 120.639 -1.288 . . . . 0.0 114.722 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.1 m -71.99 -50.98 24.17 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.359 -1.083 . . . . 0.0 112.177 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 5' ' ' ILE . 3.6 mp -71.69 -39.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 121.326 -0.859 . . . . 0.0 110.472 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.49 -39.76 88.86 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.91 -39.0 64.86 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 120.781 -1.199 . . . . 0.0 114.056 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.37 -39.59 91.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.02 -15.99 61.51 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -173.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -97.98 2.38 48.9 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 121.023 -1.048 . . . . 0.0 112.618 -172.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.97 18.16 12.61 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-O 118.919 -0.934 . . . . 0.0 115.202 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.8 -120.57 0.3 Allowed 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -160.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.798 0 O-C-N 120.9 -1.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.82 -43.02 98.75 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.654 -1.279 . . . . 0.0 113.358 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.18 -7.01 81.54 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 120.66 -1.275 . . . . 0.0 113.851 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 m -79.45 -53.44 6.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.864 -1.374 . . . . 0.0 110.831 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.5 mt -68.27 -42.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 120.793 -1.192 . . . . 0.0 110.473 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.56 -34.44 76.95 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 170.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.28 -8.18 87.83 Favored Glycine 0 C--N 1.36 1.913 0 O-C-N 120.847 -1.158 . . . . 0.0 114.756 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.04 3.76 44.32 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 124.589 1.156 . . . . 0.0 110.651 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.0 tp -110.44 -32.76 6.82 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.992 1.377 . . . . 0.0 109.666 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -93.11 13.8 19.86 Favored 'General case' 0 N--CA 1.438 -1.025 0 O-C-N 120.549 -1.345 . . . . 0.0 109.934 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.69 46.56 1.06 Allowed Glycine 0 C--N 1.353 1.498 0 C-N-CA 125.661 1.601 . . . . 0.0 113.37 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -125.8 -175.35 3.32 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -171.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.469 5.794 0 O-C-N 120.804 -1.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_