data_5mml_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5mml _Structure_validation_residue.Date_analyzed 2017-09-01 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' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.471 0.604 0 CA-C-O 120.974 0.416 . . . . 50.0 110.138 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.92 -31.99 71.5 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.127 -0.488 . . . . 50.0 109.942 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.7 t -64.73 -32.39 74.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.22 -0.3 . . . . 50.0 110.658 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -68.62 -35.47 77.35 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.242 -0.583 . . . . 50.0 110.411 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.98 -38.77 72.75 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 108.558 -0.905 . . . . 50.0 108.558 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.9 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -70.46 -21.72 62.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 119.12 -1.032 . . . . 50.0 110.653 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -39.44 79.01 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 118.838 0.745 . . . . 25.0 112.515 172.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.16 -30.53 63.64 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.021 -1.049 . . . . 50.0 108.779 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -66.87 -29.42 69.32 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.264 -0.897 . . . . 25.0 109.303 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -62.17 -33.29 74.25 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.794 -0.639 . . . . 50.0 111.287 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -71.63 -35.32 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 123.959 0.787 . . . . 50.0 109.344 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 108.048 -1.093 . . . . 50.0 108.048 -179.675 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.246 0.903 0 CA-C-O 120.805 0.336 . . . . 50.0 111.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.07 -29.48 70.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.022 0.749 . . . . 50.0 113.022 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 t -62.84 -29.67 70.91 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.691 -0.631 . . . . 50.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -67.51 -47.42 70.02 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.385 -0.598 . . . . 50.0 109.385 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.18 -42.96 99.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 50.0 110.079 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -62.81 -48.52 78.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.516 0.674 . . . . 25.0 111.198 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.66 -21.55 62.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 120.926 -1.109 . . . . 50.0 112.201 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.3 -37.73 83.86 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.927 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -39.13 82.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.6 -35.44 74.32 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.951 -0.468 . . . . 25.0 110.94 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -58.5 -34.66 71.17 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.125 0.417 . . . . 50.0 112.125 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.8 -31.28 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 123.444 0.465 . . . . 50.0 111.242 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 121.251 0.548 . . . . 50.0 110.586 -178.674 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--O 1.211 -0.937 0 N-CA-C 109.374 -0.602 . . . . 50.0 109.374 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.38 -41.31 93.51 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.883 0.373 . . . . 50.0 110.971 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.5 t -65.63 -33.4 75.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.948 0.404 . . . . 50.0 110.433 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -65.8 -42.84 90.19 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.974 -0.454 . . . . 50.0 109.898 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.97 -42.59 99.87 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.352 0.596 . . . . 50.0 109.965 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.3 -48.08 79.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.545 0.688 . . . . 25.0 111.805 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -67.52 -26.08 66.15 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.466 -1.396 . . . . 50.0 111.291 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -69.27 -29.29 67.16 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.505 0.593 . . . . 25.0 110.166 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -72.08 -22.4 61.36 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.446 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.2 -34.93 75.88 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.342 0.519 . . . . 50.0 109.997 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -74.2 -40.59 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.652 -0.499 . . . . 50.0 109.652 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--O 1.217 -0.648 0 CA-C-O 121.006 0.431 . . . . 50.0 111.448 179.42 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 C--O 1.26 1.652 0 CA-C-O 122.314 1.054 . . . . 50.0 108.775 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.26 -43.01 96.51 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 115.531 -0.759 . . . . 50.0 111.465 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -36.35 72.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.463 -0.79 . . . . 50.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -67.33 -40.36 85.9 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.786 -0.643 . . . . 50.0 109.558 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.57 -35.87 65.51 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.486 -1.301 . . . . 50.0 107.486 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -63.84 -49.47 72.66 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -66.09 -30.99 71.6 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 119.66 -1.9 . . . . 50.0 108.87 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -58.25 -32.14 68.07 Favored 'General case' 0 C--O 1.171 -3.071 0 O-C-N 124.895 1.372 . . . . 25.0 110.007 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -42.83 83.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 122.391 1.091 . . . . 50.0 111.747 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -66.68 -33.41 75.57 Favored 'General case' 0 C--O 1.203 -1.355 0 O-C-N 120.481 -1.387 . . . . 25.0 111.239 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -33.67 71.56 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 108.442 -0.947 . . . . 50.0 108.442 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.18 -36.53 62.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.374 0 CA-C-O 122.695 1.236 . . . . 50.0 110.73 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--O 1.203 -1.36 0 CA-C-N 115.629 -0.714 . . . . 50.0 110.29 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.235 0.341 0 N-CA-C 109.359 -0.608 . . . . 50.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.91 -36.88 85.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.284 -0.416 . . . . 50.0 110.76 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -64.05 -38.07 89.73 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.875 -0.516 . . . . 50.0 109.964 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.103 -0.373 . . . . 50.0 110.848 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.61 -42.35 87.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.083 0.468 . . . . 50.0 110.303 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -64.92 -48.62 73.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 25.0 111.074 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.59 -26.18 65.25 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.249 -0.907 . . . . 50.0 111.292 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.05 -37.37 87.17 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 110.126 -0.324 . . . . 25.0 110.126 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.21 84.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.768 -0.456 . . . . 50.0 109.768 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.01 -21.3 65.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -60.39 -35.55 76.01 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.734 -0.604 . . . . 50.0 110.692 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mt -70.79 -31.32 45.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-O 121.221 0.534 . . . . 50.0 109.592 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mm . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 109.598 -0.519 . . . . 50.0 109.598 176.774 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.9 mm . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 121.945 0.878 . . . . 50.0 109.727 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.56 -42.09 95.88 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.231 -0.895 . . . . 50.0 110.851 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.2 p -65.84 -29.3 69.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.868 -0.52 . . . . 50.0 109.761 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 t -64.4 -49.99 69.38 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 121.049 -0.26 . . . . 50.0 110.349 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.68 -45.17 95.15 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.668 -0.864 . . . . 50.0 108.668 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -60.83 -45.79 93.1 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-N 115.639 -0.71 . . . . 25.0 112.075 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -70.65 -29.9 66.37 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 121.249 -0.907 . . . . 50.0 109.823 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.42 -42.11 96.22 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 119.203 -0.999 . . . . 25.0 110.409 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.52 -28.36 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 119.9 -0.72 . . . . 50.0 110.505 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -66.66 -36.52 82.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 122.091 -0.38 . . . . 25.0 110.505 173.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.33 -30.32 71.48 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 112.667 0.617 . . . . 50.0 112.667 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mm -72.29 -39.29 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 107.173 -1.418 . . . . 50.0 107.173 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.314 -0.951 0 O-C-N 124.109 0.88 . . . . 50.0 110.556 -179.742 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.1 mt . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 108.651 -0.87 . . . . 50.0 108.651 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.88 -42.25 98.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 50.0 110.984 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.8 t -65.97 -39.6 90.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 50.0 110.487 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -64.99 -40.7 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.326 . . . . 50.0 110.606 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.81 -38.46 86.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 50.0 110.38 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -64.05 -47.17 81.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.382 0.61 . . . . 25.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -69.49 -26.73 64.7 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.126 -0.984 . . . . 50.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -63.56 -37.78 88.63 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.013 -0.429 . . . . 25.0 110.053 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -38.54 87.45 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 109.336 -0.616 . . . . 50.0 109.336 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -67.36 -33.11 74.54 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.212 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.4 -30.58 68.55 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 112.923 0.712 . . . . 50.0 112.923 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -61.45 -35.36 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.383 0.611 . . . . 50.0 109.627 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.436 -0.95 . . . . 50.0 108.436 178.472 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 pt . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 108.899 -0.778 . . . . 50.0 108.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.3 tp -78.05 -36.94 47.82 Favored 'General case' 0 C--O 1.192 -1.932 0 CA-C-O 122.527 1.156 . . . . 50.0 111.661 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.4 t -65.24 -39.19 92.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 120.342 -1.474 . . . . 50.0 109.723 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -59.99 -51.92 67.59 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 109.34 -0.615 . . . . 50.0 109.34 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.19 -42.7 81.7 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.629 0.772 . . . . 50.0 110.84 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -65.71 -44.7 85.29 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 123.442 1.592 . . . . 25.0 111.503 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -70.81 -25.2 62.75 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 119.862 -1.774 . . . . 50.0 109.571 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -69.18 -32.88 72.49 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.509 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -33.21 71.18 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 104.741 -2.318 . . . . 50.0 104.741 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -67.91 -25.96 65.75 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -63.61 -32.4 73.85 Favored 'General case' 0 C--O 1.201 -1.495 0 CA-C-O 118.845 -0.598 . . . . 50.0 110.137 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -79.17 -28.39 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 122.708 1.242 . . . . 50.0 110.368 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--N 1.314 -0.944 0 CA-C-O 122.452 1.12 . . . . 50.0 109.028 173.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.79 0.805 . . . . 50.0 112.119 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -36.13 77.9 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.575 -1.328 . . . . 50.0 108.96 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -63.41 -38.62 91.84 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.546 -0.721 . . . . 50.0 109.432 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -61.61 -46.37 90.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 50.0 111.339 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.3 -42.27 93.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.978 -1.01 . . . . 50.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -61.77 -42.46 99.02 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -75.2 -23.73 57.7 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 118.851 -1.14 . . . . 50.0 111.636 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.2 -41.42 81.4 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.828 -0.545 . . . . 25.0 109.98 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.75 -31.69 61.86 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 119.462 -0.895 . . . . 50.0 111.767 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -65.05 -33.84 77.0 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.016 -0.538 . . . . 25.0 109.843 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.24 -30.84 71.76 Favored 'General case' 0 C--O 1.192 -1.95 0 C-N-CA 122.795 0.438 . . . . 50.0 111.435 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.44 -37.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.061 -0.718 . . . . 50.0 109.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.474 0.754 0 CA-C-N 114.766 -1.106 . . . . 50.0 110.049 176.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.3 pt . . . . . 0 CA--C 1.494 -1.197 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -72.14 -35.71 69.16 Favored 'General case' 0 C--O 1.247 0.924 0 O-C-N 121.074 -1.016 . . . . 50.0 110.039 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -66.64 -34.06 77.04 Favored 'General case' 0 C--O 1.252 1.211 0 C-N-CA 119.747 -0.781 . . . . 50.0 111.11 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.855 0.462 . . . . 50.0 110.758 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.15 -37.74 61.22 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.14 0.971 . . . . 50.0 109.902 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.14 -43.04 96.45 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.023 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.22 -30.7 68.92 Favored 'General case' 0 N--CA 1.434 -1.256 0 O-C-N 121.693 -0.629 . . . . 50.0 112.109 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -64.25 -45.3 88.75 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.457 1.098 . . . . 25.0 110.867 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.97 -24.04 55.37 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 118.498 -0.763 . . . . 50.0 109.043 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -66.87 -34.74 78.45 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 119.936 1.244 . . . . 25.0 110.844 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -34.54 71.97 Favored 'General case' 0 C--O 1.195 -1.81 0 CA-C-O 118.341 -0.837 . . . . 50.0 109.458 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.75 -32.89 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 118.555 -0.736 . . . . 50.0 109.755 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 123.133 1.444 . . . . 50.0 109.546 -179.148 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.224 -0.277 0 CA-C-O 120.462 0.172 . . . . 50.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.14 -41.56 66.99 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.766 -1.198 . . . . 50.0 107.766 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -59.56 -32.27 70.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.126 0.965 . . . . 50.0 112.059 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -69.99 -38.22 75.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.501 -0.555 . . . . 50.0 109.501 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.36 -39.8 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.541 0.686 . . . . 50.0 109.322 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -64.29 -41.65 96.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.426 0.631 . . . . 25.0 110.773 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.1 -22.85 62.04 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 120.719 -1.238 . . . . 50.0 111.314 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -68.81 -46.58 68.25 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.15 -29.12 67.93 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 120.182 -0.607 . . . . 50.0 111.413 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -64.42 -36.17 83.29 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.589 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -62.21 -31.89 72.48 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.72 0.637 . . . . 50.0 112.72 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.05 -34.38 66.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.288 0.566 . . . . 50.0 109.858 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.544 0.688 . . . . 50.0 109.824 178.493 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 114.27 1.211 . . . . 50.0 114.27 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 tt -67.24 -41.8 85.04 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.737 -1.227 . . . . 50.0 108.24 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 t -67.11 -41.05 86.87 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-N 115.313 -0.858 . . . . 50.0 109.44 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -62.85 -44.63 95.63 Favored 'General case' 0 C--O 1.207 -1.178 0 O-C-N 123.646 0.591 . . . . 50.0 110.129 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.33 -38.71 92.0 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.867 0.842 . . . . 50.0 110.695 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -64.23 -44.51 91.61 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -74.57 -21.11 59.67 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.412 -1.43 . . . . 50.0 114.096 176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -60.91 -37.52 82.51 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -41.37 60.61 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.905 -0.405 . . . . 50.0 109.905 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -58.95 -27.42 65.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.432 1.093 . . . . 25.0 112.521 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -62.41 -37.88 87.53 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 112.991 0.738 . . . . 50.0 112.991 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.65 -35.53 61.44 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 CA-C-O 121.51 0.671 . . . . 50.0 110.031 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.5 mm . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 123.686 0.794 . . . . 50.0 110.773 -179.805 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 110.764 -0.087 . . . . 50.0 110.764 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tt -73.49 -41.31 63.28 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.65 -2.722 . . . . 50.0 103.65 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -69.32 -28.86 66.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.66 0.663 . . . . 50.0 112.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -65.72 -44.96 84.48 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.758 -1.201 . . . . 50.0 107.758 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.83 -40.1 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 123.034 1.397 . . . . 50.0 110.543 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -58.2 -42.2 85.63 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 113.069 -1.878 . . . . 25.0 111.715 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -71.88 -28.17 63.34 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.769 1.026 . . . . 50.0 113.769 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.21 -35.77 81.88 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.21 -0.931 . . . . 25.0 109.283 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.83 74.35 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.098 -1.626 . . . . 50.0 108.481 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -61.76 -28.22 69.29 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -54.73 -40.88 69.71 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.081 -1.081 . . . . 50.0 108.081 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mt -70.51 -35.51 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 122.347 1.07 . . . . 50.0 108.944 -172.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 N--CA 1.501 2.106 0 C-N-CA 124.519 1.128 . . . . 50.0 113.587 179.579 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 107.028 -1.471 . . . . 50.0 107.028 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.84 -41.74 99.46 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.22 -0.9 . . . . 50.0 110.513 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -64.79 -38.96 92.73 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.991 -0.443 . . . . 50.0 111.012 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -63.76 -49.64 72.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.26 -0.644 . . . . 50.0 109.26 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -41.94 87.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.297 0.57 . . . . 50.0 111.056 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -61.63 -45.85 92.31 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.474 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -70.71 -21.57 62.54 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.167 -0.958 . . . . 50.0 112.929 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.7 -45.67 91.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.895 0.771 . . . . 25.0 109.645 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -33.77 76.57 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.453 0.644 . . . . 50.0 110.011 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -66.36 -30.37 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.709 -0.619 . . . . 25.0 111.68 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.23 -34.53 77.85 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 119.477 -0.297 . . . . 50.0 111.349 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -63.71 -34.26 66.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.701 0.762 . . . . 50.0 110.05 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mm . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.623 0.725 . . . . 50.0 109.686 178.882 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.625 0.726 . . . . 50.0 109.127 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.54 -45.54 79.1 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 121.638 -0.664 . . . . 50.0 112.013 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 -47.99 57.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.799 -0.815 . . . . 50.0 108.799 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.83 -42.43 75.75 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 114.999 -1.001 . . . . 50.0 110.569 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.1 t90 -63.5 -40.96 98.44 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-O 121.887 0.851 . . . . 25.0 112.028 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -72.05 -30.03 64.76 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 120.251 -1.531 . . . . 50.0 109.441 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -60.67 -45.35 94.46 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 121.474 -0.766 . . . . 25.0 110.793 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.91 -27.7 63.0 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 121.112 0.482 . . . . 50.0 110.07 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -70.11 -41.5 73.9 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -57.85 -30.83 66.1 Favored 'General case' 0 C--O 1.2 -1.533 0 CA-C-N 115.636 -0.711 . . . . 50.0 112.543 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.5 -41.68 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 109.4 -0.592 . . . . 50.0 109.4 -179.694 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.945 0.402 . . . . 50.0 110.527 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.79 -41.49 97.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 50.0 111.056 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -34.56 78.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 50.0 111.56 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -70.53 -38.1 74.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 50.0 109.753 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -40.62 90.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.292 0.567 . . . . 50.0 109.556 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -63.49 -49.0 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.961 -0.462 . . . . 25.0 111.158 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -68.63 -21.64 64.46 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.3 -0.875 . . . . 50.0 112.369 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -61.35 -38.21 86.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.578 -0.156 . . . . 25.0 110.578 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -37.04 78.42 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.219 -0.592 . . . . 50.0 110.276 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -64.72 -29.32 70.3 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -56.54 -39.69 73.84 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.658 0.266 . . . . 50.0 110.627 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -67.01 -38.77 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.256 0.551 . . . . 50.0 110.261 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.664 -0.698 . . . . 50.0 110.247 -179.809 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.486 0.66 . . . . 50.0 109.85 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.16 -32.82 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 50.0 111.537 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.86 87.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 50.0 111.296 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -75.06 -25.56 58.72 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.004 -0.678 . . . . 50.0 112.809 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.15 -41.84 85.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.231 -1.026 . . . . 50.0 108.231 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -66.65 -41.29 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.157 -0.929 . . . . 25.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -71.35 -27.96 63.72 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.926 -1.109 . . . . 50.0 110.511 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.94 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.95 -31.24 68.87 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.474 -0.49 . . . . 50.0 111.227 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -69.29 -32.16 71.14 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.733 -0.604 . . . . 25.0 111.067 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.15 -30.35 71.27 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 122.172 -0.33 . . . . 50.0 111.239 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.14 -37.79 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.605 -0.517 . . . . 50.0 109.605 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mm . . . . . 0 CA--C 1.539 0.556 0 CA-C-O 121.267 0.556 . . . . 50.0 111.155 178.25 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 C--O 1.21 -1.001 0 CA-C-O 122.072 0.939 . . . . 50.0 111.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.73 -34.7 72.17 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.33 -0.856 . . . . 50.0 109.139 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -64.86 -32.82 74.7 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 123.56 0.538 . . . . 50.0 111.321 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -68.95 -39.86 79.27 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.314 0.578 . . . . 50.0 109.758 177.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.2 mt -66.74 -44.35 81.73 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 119.075 -0.488 . . . . 50.0 109.782 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -57.7 -50.77 72.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.31 0.381 . . . . 25.0 111.639 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -63.87 -23.02 67.19 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.363 -0.836 . . . . 50.0 112.466 -174.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -67.99 -29.35 68.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 119.123 0.874 . . . . 25.0 110.345 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -38.89 79.39 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.853 -0.795 . . . . 50.0 108.853 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -68.51 -29.73 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.595 0.712 . . . . 25.0 110.545 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -59.89 -30.45 69.03 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.494 -0.754 . . . . 50.0 112.849 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.91 -37.04 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-O 121.634 0.73 . . . . 50.0 109.609 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.8 mm . . . . . 0 C--N 1.31 -1.119 0 CA-C-N 115.299 -0.864 . . . . 50.0 110.422 -178.687 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.3 pt . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 112.482 0.549 . . . . 50.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.17 -35.23 79.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.268 -0.271 . . . . 50.0 110.268 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -65.44 -33.99 77.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 50.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -71.93 -38.99 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.253 0.549 . . . . 50.0 109.943 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.11 -42.02 97.02 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.496 0.665 . . . . 50.0 109.652 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -64.62 -49.05 72.59 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 114.983 -1.008 . . . . 25.0 110.984 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.91 -22.53 65.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.956 -1.09 . . . . 50.0 111.896 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -60.94 -46.41 90.8 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 121.864 -0.522 . . . . 25.0 110.232 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.89 -38.59 83.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.39 . . . . 50.0 110.292 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -63.78 -31.85 73.16 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.561 -0.712 . . . . 25.0 111.397 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -66.36 -33.62 76.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 50.0 112.197 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.03 -37.3 72.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 116.035 -0.529 . . . . 50.0 111.352 177.827 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.603 -0.888 . . . . 50.0 108.603 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -43.06 96.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 50.0 111.075 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -35.03 78.96 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 123.933 0.893 . . . . 50.0 111.971 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -70.21 -40.61 74.46 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.82 -0.752 . . . . 50.0 110.715 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.09 -35.6 80.94 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.488 -0.778 . . . . 50.0 110.486 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.74 -46.85 86.14 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.678 0.752 . . . . 25.0 111.329 178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -69.64 -33.3 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.893 -1.13 . . . . 50.0 108.583 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -63.79 -35.9 82.12 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 119.396 -0.335 . . . . 25.0 111.201 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -39.99 87.79 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.621 0.724 . . . . 50.0 109.355 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -65.23 -34.48 78.46 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.538 -0.726 . . . . 25.0 111.037 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.64 -40.76 97.69 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.481 -0.327 . . . . 50.0 110.715 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.24 -37.03 78.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-O 121.392 0.615 . . . . 50.0 110.568 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mm . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 121.478 0.656 . . . . 50.0 110.698 177.985 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 106.909 -1.515 . . . . 50.0 106.909 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -39.73 78.06 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 121.458 0.647 . . . . 50.0 112.238 173.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.6 t -63.05 -36.39 83.42 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 -176.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -72.22 -40.29 67.92 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-O 116.644 -1.645 . . . . 50.0 113.432 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.99 -34.65 78.01 Favored 'General case' 0 C--O 1.258 1.502 0 CA-C-N 120.912 1.687 . . . . 50.0 113.02 174.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -63.53 -48.94 75.48 Favored 'General case' 0 C--O 1.268 2.032 0 CA-C-N 114.23 -1.35 . . . . 25.0 110.897 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -72.86 -27.18 61.77 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 113.793 1.034 . . . . 50.0 113.793 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -65.28 -42.93 92.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.98 -20.63 59.58 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -67.48 -31.1 71.01 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.75 -33.35 71.55 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 114.095 1.146 . . . . 50.0 114.095 174.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.65 -30.67 29.84 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 N-CA-C 106.886 -1.524 . . . . 50.0 106.886 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt . . . . . 0 C--N 1.317 -0.843 0 O-C-N 120.416 -1.428 . . . . 50.0 112.786 178.43 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.2 pt . . . . . 0 C--O 1.207 -1.157 0 N-CA-C 113.077 0.769 . . . . 50.0 113.077 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.96 -36.04 69.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 O-C-N 119.939 -1.726 . . . . 50.0 108.978 172.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -67.94 -31.27 70.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.855 -1.153 . . . . 50.0 109.142 -175.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -70.75 -44.56 66.5 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 116.065 -0.516 . . . . 50.0 111.412 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.07 -36.17 80.85 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 121.634 0.73 . . . . 50.0 111.268 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -69.21 -46.14 68.13 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.263 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -68.82 -25.09 64.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.662 -1.274 . . . . 50.0 110.805 178.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -63.21 -42.22 99.26 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.414 -0.914 . . . . 25.0 109.009 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.11 -37.68 81.43 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.76 0.791 . . . . 50.0 110.94 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.56 -33.9 77.0 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -33.54 76.24 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-O 118.468 -0.777 . . . . 50.0 112.535 177.404 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -56.12 -38.14 52.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 113.82 1.045 . . . . 50.0 113.82 174.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.1 mm . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 122.29 1.043 . . . . 50.0 111.272 -179.825 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.769 0.319 . . . . 50.0 111.041 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.83 -22.03 60.87 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.265 -0.897 . . . . 50.0 111.872 178.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -67.75 -30.08 69.47 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.21 -0.931 . . . . 50.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -69.41 -39.55 77.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.326 1.06 . . . . 50.0 109.02 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.62 -40.62 80.3 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 115.233 -0.894 . . . . 50.0 108.888 179.012 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -60.58 -48.44 81.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.482 -178.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -30.05 68.34 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.937 -1.102 . . . . 50.0 111.013 178.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.32 -46.47 83.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.86 0.3 . . . . 25.0 110.923 178.399 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.32 -28.88 64.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 118.502 0.592 . . . . 50.0 110.815 -178.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -66.81 -35.16 79.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.634 179.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -64.21 -32.71 74.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.535 0.568 . . . . 50.0 112.535 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mm -69.81 -38.88 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.598 -0.89 . . . . 50.0 108.598 -175.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--O 1.212 -0.921 0 O-C-N 124.038 0.837 . . . . 50.0 109.515 179.967 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.5 mt . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 121.705 0.764 . . . . 50.0 111.415 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.72 -31.42 69.6 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.491 -0.756 . . . . 50.0 110.929 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -59.16 -34.17 71.77 Favored 'General case' 0 C--O 1.246 0.896 0 O-C-N 124.265 0.978 . . . . 50.0 113.468 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -61.14 -51.45 69.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 123.822 0.702 . . . . 50.0 109.355 178.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.7 -41.19 98.16 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.994 -0.743 . . . . 50.0 108.994 -177.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -61.48 -47.49 85.43 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.204 -0.907 . . . . 25.0 110.864 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -66.24 -25.99 67.15 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.073 -1.017 . . . . 50.0 112.592 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -62.59 -43.81 97.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 119.095 -0.479 . . . . 25.0 110.199 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -30.71 65.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 119.668 -0.813 . . . . 50.0 110.212 177.215 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -64.07 -26.29 68.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 119.017 -0.516 . . . . 25.0 112.367 176.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.97 -37.34 86.72 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 117.833 0.288 . . . . 50.0 110.26 175.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -64.36 -35.59 74.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.645 0 CA-C-O 121.698 0.761 . . . . 50.0 110.307 -177.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt . . . . . 0 C--O 1.218 -0.581 0 CA-C-N 115.499 -0.773 . . . . 50.0 109.979 178.809 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.5 mt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 122.113 0.958 . . . . 50.0 110.791 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.9 -40.15 95.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.207 -0.906 . . . . 50.0 109.911 178.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -65.67 -30.92 71.68 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.893 0.701 . . . . 50.0 112.893 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -68.36 -42.45 79.16 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 177.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.19 -42.54 99.37 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.439 0.637 . . . . 50.0 109.911 178.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -60.19 -49.63 76.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.155 -178.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -73.39 -27.63 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.712 -1.242 . . . . 50.0 112.126 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -57.09 -49.14 76.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 120.917 -0.313 . . . . 25.0 110.703 173.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.98 -26.82 63.31 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.783 -0.573 . . . . 50.0 111.405 -178.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -70.28 -21.52 62.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 178.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.75 -31.15 66.2 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 120.883 0.373 . . . . 50.0 111.851 176.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.64 -28.7 42.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 CA-C-O 121.401 0.62 . . . . 50.0 109.929 -178.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.126 0.488 . . . . 50.0 110.588 178.341 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 C--O 1.218 -0.561 0 N-CA-C 114.483 1.29 . . . . 50.0 114.483 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.04 -33.07 74.92 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 120.948 -1.095 . . . . 50.0 109.92 176.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -31.04 69.66 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.823 0.344 . . . . 50.0 110.55 -176.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -63.14 -52.95 60.45 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.605 0.717 . . . . 50.0 110.871 175.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.85 -45.37 78.46 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.05 0.94 . . . . 50.0 112.16 175.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.78 -48.06 83.2 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 114.097 -1.41 . . . . 25.0 112.407 178.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -69.69 -21.14 63.53 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 120.198 -1.564 . . . . 50.0 113.472 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -36.74 82.61 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -30.92 40.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.763 -0.458 . . . . 50.0 109.763 178.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.42 -23.45 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.203 -0.936 . . . . 25.0 110.175 177.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.59 -37.78 82.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.489 0.493 . . . . 50.0 112.323 174.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.07 -36.68 77.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-O 121.591 0.71 . . . . 50.0 109.856 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.8 mm . . . . . 0 C--N 1.317 -0.818 0 N-CA-C 109.019 -0.734 . . . . 50.0 109.019 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.5 pt . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 112.595 0.591 . . . . 50.0 112.595 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.62 -34.84 76.35 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.603 -0.517 . . . . 50.0 109.603 176.371 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -36.33 82.89 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.634 -0.257 . . . . 50.0 110.622 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -64.64 -42.32 95.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.029 0.442 . . . . 50.0 110.52 178.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.2 -41.37 98.3 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.657 0.742 . . . . 50.0 109.565 177.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -67.63 -42.85 81.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.493 -179.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.23 -25.83 64.5 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.114 -0.991 . . . . 50.0 110.861 -178.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -59.6 -37.24 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -42.86 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.12 -0.696 . . . . 50.0 109.12 177.213 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -61.4 -38.97 89.01 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.165 -0.335 . . . . 25.0 111.324 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -30.19 71.21 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.63 0.604 . . . . 50.0 112.63 -178.251 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.49 -37.1 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 50.0 108.757 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mm . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 121.363 0.602 . . . . 50.0 109.913 178.947 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.6 pt . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 120.546 0.213 . . . . 50.0 111.38 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.44 -36.31 73.89 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.6 -0.519 . . . . 50.0 109.6 177.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 t -65.78 -36.43 83.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.661 -0.496 . . . . 50.0 109.661 178.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -65.78 -40.97 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.963 -0.295 . . . . 50.0 110.76 176.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.45 -43.22 91.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 122.012 0.911 . . . . 50.0 109.176 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -62.76 -42.0 99.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.203 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -67.1 -35.28 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.324 -0.86 . . . . 50.0 110.067 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.26 -38.25 86.04 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 111.524 0.194 . . . . 25.0 111.524 177.37 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.1 -33.34 44.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.249 -0.58 . . . . 50.0 111.826 176.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.74 -30.55 70.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.745 0.307 . . . . 25.0 110.861 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -55.75 -35.36 66.1 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.084 0.401 . . . . 50.0 112.084 176.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.38 -40.09 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.149 0.5 . . . . 50.0 110.181 -178.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.393 0.615 . . . . 50.0 110.036 179.825 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 121.176 0.512 . . . . 50.0 111.995 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.45 -29.43 70.51 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 116.14 -0.482 . . . . 50.0 110.198 176.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.2 p -64.03 -33.45 75.76 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.654 -0.419 . . . . 50.0 111.855 178.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -70.86 -39.47 72.9 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.836 -0.431 . . . . 50.0 109.836 179.155 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.44 -43.26 94.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.632 0.73 . . . . 50.0 109.234 176.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.95 -46.66 86.71 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.282 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -69.14 -25.58 64.46 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.037 -0.665 . . . . 50.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -68.78 -37.35 79.25 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.373 -0.931 . . . . 25.0 110.738 173.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -38.88 85.51 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.109 -1.071 . . . . 50.0 108.109 176.481 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.43 -35.64 79.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.123 -0.361 . . . . 25.0 110.848 178.077 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.83 -32.93 74.6 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.5 0.556 . . . . 50.0 112.5 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.1 -37.11 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.145 -0.687 . . . . 50.0 109.145 177.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.038 -0.727 . . . . 50.0 109.038 179.226 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 pt . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 110.064 -0.347 . . . . 50.0 110.064 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.01 -43.69 82.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.989 -0.745 . . . . 50.0 108.989 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -31.81 72.98 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.463 -0.79 . . . . 50.0 110.541 178.514 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -69.44 -43.87 72.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.966 0.889 . . . . 50.0 110.691 177.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.9 -45.8 92.15 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.411 -0.588 . . . . 50.0 109.411 178.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -60.08 -46.98 87.76 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.549 0.69 . . . . 25.0 111.519 178.597 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.5 -32.76 73.8 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 119.899 -1.751 . . . . 50.0 110.908 -176.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.6 -45.32 92.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.886 0.767 . . . . 25.0 112.181 177.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.22 -26.18 64.68 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.212 -0.93 . . . . 50.0 110.056 179.385 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.07 -31.8 70.81 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.165 -0.334 . . . . 25.0 111.068 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -57.85 -41.87 83.26 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.999 -0.438 . . . . 50.0 111.441 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mt -63.53 -38.57 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 115.922 -0.581 . . . . 50.0 110.619 -173.111 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.241 0.633 0 CA-C-O 121.284 0.564 . . . . 50.0 111.617 179.679 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.788 0 CA-C-O 123.685 1.714 . . . . 25.0 115.05 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.88 -34.78 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 120.353 -1.675 . . . . 50.0 110.138 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.92 -31.99 71.5 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.127 -0.488 . . . . 50.0 109.942 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.7 t -64.73 -32.39 74.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.22 -0.3 . . . . 50.0 110.658 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -68.62 -35.47 77.35 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.242 -0.583 . . . . 50.0 110.411 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.98 -38.77 72.75 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 108.558 -0.905 . . . . 50.0 108.558 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.9 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -70.46 -21.72 62.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 119.12 -1.032 . . . . 50.0 110.653 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -39.44 79.01 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 118.838 0.745 . . . . 25.0 112.515 172.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.16 -30.53 63.64 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.021 -1.049 . . . . 50.0 108.779 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -66.87 -29.42 69.32 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.264 -0.897 . . . . 25.0 109.303 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -62.17 -33.29 74.25 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.794 -0.639 . . . . 50.0 111.287 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -71.63 -35.32 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 123.959 0.787 . . . . 50.0 109.344 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.48 -38.31 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 108.048 -1.093 . . . . 50.0 108.048 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.0 43.01 0.83 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 tttt 60.72 106.77 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 124.688 2.185 . . . . 25.0 116.104 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.431 4.12 0 CA-C-N 112.867 -1.969 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.053 0 CA-C-O 122.8 1.222 . . . . 25.0 115.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.76 -37.12 64.26 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 O-C-N 120.376 -1.661 . . . . 50.0 111.883 -175.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.07 -29.48 70.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.022 0.749 . . . . 50.0 113.022 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 t -62.84 -29.67 70.91 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.691 -0.631 . . . . 50.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -67.51 -47.42 70.02 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.385 -0.598 . . . . 50.0 109.385 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.18 -42.96 99.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 50.0 110.079 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -62.81 -48.52 78.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.516 0.674 . . . . 25.0 111.198 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.66 -21.55 62.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 120.926 -1.109 . . . . 50.0 112.201 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.3 -37.73 83.86 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.927 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -39.13 82.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.6 -35.44 74.32 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.951 -0.468 . . . . 25.0 110.94 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -58.5 -34.66 71.17 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.125 0.417 . . . . 50.0 112.125 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.8 -31.28 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 123.444 0.465 . . . . 50.0 111.242 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.4 mm -62.45 -34.79 66.51 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-O 121.251 0.548 . . . . 50.0 110.586 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.8 47.51 0.98 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.934 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -160.62 55.75 0.32 Allowed 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 123.722 1.725 . . . . 25.0 113.12 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.401 2.814 0 CA-C-N 114.093 -1.412 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 CA-C-O 124.039 1.91 . . . . 25.0 114.794 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.09 -39.91 83.93 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 O-C-N 120.618 -1.519 . . . . 50.0 109.374 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.38 -41.31 93.51 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.883 0.373 . . . . 50.0 110.971 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.5 t -65.63 -33.4 75.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.948 0.404 . . . . 50.0 110.433 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -65.8 -42.84 90.19 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.974 -0.454 . . . . 50.0 109.898 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.97 -42.59 99.87 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.352 0.596 . . . . 50.0 109.965 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.3 -48.08 79.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.545 0.688 . . . . 25.0 111.805 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -67.52 -26.08 66.15 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.466 -1.396 . . . . 50.0 111.291 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -69.27 -29.29 67.16 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.505 0.593 . . . . 25.0 110.166 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -72.08 -22.4 61.36 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.446 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.2 -34.93 75.88 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.342 0.519 . . . . 50.0 109.997 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -74.2 -40.59 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.652 -0.499 . . . . 50.0 109.652 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm -65.48 -37.99 81.38 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 CA-C-O 121.006 0.431 . . . . 50.0 111.448 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.18 90.36 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.722 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.253 7.9 tmtt? 69.1 73.33 0.26 Allowed 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 124.657 2.17 . . . . 25.0 113.05 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.425 3.88 0 CA-C-N 112.883 -1.962 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.051 0 CA-C-O 126.013 3.007 . . . . 25.0 113.131 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.39 -39.01 81.32 Favored 'Isoleucine or valine' 0 C--O 1.26 1.652 0 O-C-N 120.694 -1.474 . . . . 50.0 108.775 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.26 -43.01 96.51 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 115.531 -0.759 . . . . 50.0 111.465 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -36.35 72.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.463 -0.79 . . . . 50.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -67.33 -40.36 85.9 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.786 -0.643 . . . . 50.0 109.558 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.57 -35.87 65.51 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.486 -1.301 . . . . 50.0 107.486 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -63.84 -49.47 72.66 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -66.09 -30.99 71.6 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 119.66 -1.9 . . . . 50.0 108.87 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -58.25 -32.14 68.07 Favored 'General case' 0 C--O 1.171 -3.071 0 O-C-N 124.895 1.372 . . . . 25.0 110.007 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -42.83 83.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 122.391 1.091 . . . . 50.0 111.747 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -66.68 -33.41 75.57 Favored 'General case' 0 C--O 1.203 -1.355 0 O-C-N 120.481 -1.387 . . . . 25.0 111.239 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -33.67 71.56 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 108.442 -0.947 . . . . 50.0 108.442 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.18 -36.53 62.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.374 0 CA-C-O 122.695 1.236 . . . . 50.0 110.73 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.88 -37.23 67.49 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.36 0 CA-C-N 115.629 -0.714 . . . . 50.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.09 93.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.43 -65.86 0.07 Allowed 'General case' 0 C--O 1.179 -2.614 0 C-N-CA 126.906 2.083 . . . . 25.0 115.19 -174.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.446 4.766 0 O-C-N 120.483 -1.385 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.598 0 CA-C-O 124.754 2.308 . . . . 25.0 112.798 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.82 -37.57 78.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 112.886 -1.657 . . . . 50.0 109.359 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.91 -36.88 85.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.284 -0.416 . . . . 50.0 110.76 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -64.05 -38.07 89.73 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.875 -0.516 . . . . 50.0 109.964 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.103 -0.373 . . . . 50.0 110.848 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.61 -42.35 87.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.083 0.468 . . . . 50.0 110.303 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -64.92 -48.62 73.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 25.0 111.074 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.59 -26.18 65.25 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.249 -0.907 . . . . 50.0 111.292 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.05 -37.37 87.17 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 110.126 -0.324 . . . . 25.0 110.126 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.21 84.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.768 -0.456 . . . . 50.0 109.768 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.01 -21.3 65.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -60.39 -35.55 76.01 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.734 -0.604 . . . . 50.0 110.692 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mt -70.79 -31.32 45.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-O 121.221 0.534 . . . . 50.0 109.592 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.36 -31.51 53.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 109.598 -0.519 . . . . 50.0 109.598 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.26 -40.24 37.7 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.612 -0.267 . . . . 25.0 111.328 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -171.11 128.65 0.72 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 126.462 1.905 . . . . 25.0 111.471 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.405 2.995 0 CA-C-N 115.025 -0.989 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.616 ' H1 ' ' HG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.478 1.498 0 CA-C-O 123.386 1.548 . . . . 25.0 113.702 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.9 mm -62.54 -38.46 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 119.917 -1.931 . . . . 50.0 109.727 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.56 -42.09 95.88 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.231 -0.895 . . . . 50.0 110.851 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.616 ' HG ' ' H1 ' ' A' ' 1' ' ' GLY . 59.2 p -65.84 -29.3 69.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.868 -0.52 . . . . 50.0 109.761 -174.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 t -64.4 -49.99 69.38 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 121.049 -0.26 . . . . 50.0 110.349 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.68 -45.17 95.15 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.668 -0.864 . . . . 50.0 108.668 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -60.83 -45.79 93.1 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-N 115.639 -0.71 . . . . 25.0 112.075 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -70.65 -29.9 66.37 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 121.249 -0.907 . . . . 50.0 109.823 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.42 -42.11 96.22 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 119.203 -0.999 . . . . 25.0 110.409 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.52 -28.36 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 119.9 -0.72 . . . . 50.0 110.505 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -66.66 -36.52 82.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 122.091 -0.38 . . . . 25.0 110.505 173.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.33 -30.32 71.48 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 112.667 0.617 . . . . 50.0 112.667 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mm -72.29 -39.29 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 107.173 -1.418 . . . . 50.0 107.173 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.55 -34.64 71.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 O-C-N 124.109 0.88 . . . . 50.0 110.556 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.67 47.75 1.25 Allowed 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.4 1.095 . . . . 25.0 111.878 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -153.08 -31.63 0.13 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 125.064 1.346 . . . . 25.0 113.703 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.068 0 O-C-N 121.218 -0.926 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 CA-C-O 122.826 1.236 . . . . 25.0 114.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.03 -39.06 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 O-C-N 121.529 -0.983 . . . . 50.0 108.651 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.88 -42.25 98.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 50.0 110.984 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.8 t -65.97 -39.6 90.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 50.0 110.487 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -64.99 -40.7 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.326 . . . . 50.0 110.606 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.81 -38.46 86.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 50.0 110.38 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -64.05 -47.17 81.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.382 0.61 . . . . 25.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -69.49 -26.73 64.7 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.126 -0.984 . . . . 50.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -63.56 -37.78 88.63 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.013 -0.429 . . . . 25.0 110.053 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -38.54 87.45 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 109.336 -0.616 . . . . 50.0 109.336 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -67.36 -33.11 74.54 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.212 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.4 -30.58 68.55 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 112.923 0.712 . . . . 50.0 112.923 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -61.45 -35.36 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.383 0.611 . . . . 50.0 109.627 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -79.11 -41.23 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.436 -0.95 . . . . 50.0 108.436 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.36 70.16 9.07 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.682 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 69.74 73.37 0.23 Allowed 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 126.848 2.059 . . . . 25.0 113.609 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.457 0 CA-C-N 113.767 -1.561 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.184 0 CA-C-O 125.424 2.68 . . . . 25.0 115.4 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 pt -66.06 -23.47 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 116.665 -3.844 . . . . 50.0 108.899 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.3 tp -78.05 -36.94 47.82 Favored 'General case' 0 C--O 1.192 -1.932 0 CA-C-O 122.527 1.156 . . . . 50.0 111.661 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.4 t -65.24 -39.19 92.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 120.342 -1.474 . . . . 50.0 109.723 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -59.99 -51.92 67.59 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 109.34 -0.615 . . . . 50.0 109.34 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.19 -42.7 81.7 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.629 0.772 . . . . 50.0 110.84 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -65.71 -44.7 85.29 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 123.442 1.592 . . . . 25.0 111.503 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -70.81 -25.2 62.75 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 119.862 -1.774 . . . . 50.0 109.571 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -69.18 -32.88 72.49 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.509 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -33.21 71.18 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 104.741 -2.318 . . . . 50.0 104.741 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -67.91 -25.96 65.75 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -63.61 -32.4 73.85 Favored 'General case' 0 C--O 1.201 -1.495 0 CA-C-O 118.845 -0.598 . . . . 50.0 110.137 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -79.17 -28.39 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 122.708 1.242 . . . . 50.0 110.368 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.15 -39.93 85.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-O 122.452 1.12 . . . . 50.0 109.028 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -56.9 7.6 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 114.452 -1.249 . . . . 25.0 110.523 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -127.89 126.14 40.98 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 116.217 1.932 . . . . 25.0 116.217 -172.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.42 3.67 0 CA-C-N 115.164 -0.926 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.703 0 CA-C-O 122.351 0.973 . . . . 25.0 113.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -67.11 -28.71 43.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 O-C-N 120.212 -1.757 . . . . 50.0 112.119 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -36.13 77.9 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.575 -1.328 . . . . 50.0 108.96 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -63.41 -38.62 91.84 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.546 -0.721 . . . . 50.0 109.432 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -61.61 -46.37 90.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 50.0 111.339 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.3 -42.27 93.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.978 -1.01 . . . . 50.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -61.77 -42.46 99.02 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -75.2 -23.73 57.7 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 118.851 -1.14 . . . . 50.0 111.636 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.2 -41.42 81.4 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.828 -0.545 . . . . 25.0 109.98 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.75 -31.69 61.86 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 119.462 -0.895 . . . . 50.0 111.767 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -65.05 -33.84 77.0 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.016 -0.538 . . . . 25.0 109.843 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.24 -30.84 71.76 Favored 'General case' 0 C--O 1.192 -1.95 0 C-N-CA 122.795 0.438 . . . . 50.0 111.435 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.44 -37.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.061 -0.718 . . . . 50.0 109.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.7 mt -75.53 -38.2 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 114.766 -1.106 . . . . 50.0 110.049 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.63 51.17 1.0 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 113.737 1.014 . . . . 25.0 113.737 -173.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 63.73 97.25 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.54 0 CA-C-O 125.191 2.424 . . . . 25.0 116.572 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.425 3.882 0 O-C-N 120.316 -1.49 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 CA-C-O 125.882 2.935 . . . . 25.0 112.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.3 pt -67.42 -28.88 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.197 0 O-C-N 120.172 -1.781 . . . . 50.0 112.52 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -72.14 -35.71 69.16 Favored 'General case' 0 C--O 1.247 0.924 0 O-C-N 121.074 -1.016 . . . . 50.0 110.039 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -66.64 -34.06 77.04 Favored 'General case' 0 C--O 1.252 1.211 0 C-N-CA 119.747 -0.781 . . . . 50.0 111.11 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.855 0.462 . . . . 50.0 110.758 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.15 -37.74 61.22 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.14 0.971 . . . . 50.0 109.902 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.14 -43.04 96.45 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.023 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.22 -30.7 68.92 Favored 'General case' 0 N--CA 1.434 -1.256 0 O-C-N 121.693 -0.629 . . . . 50.0 112.109 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -64.25 -45.3 88.75 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.457 1.098 . . . . 25.0 110.867 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.97 -24.04 55.37 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 118.498 -0.763 . . . . 50.0 109.043 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -66.87 -34.74 78.45 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 119.936 1.244 . . . . 25.0 110.844 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -34.54 71.97 Favored 'General case' 0 C--O 1.195 -1.81 0 CA-C-O 118.341 -0.837 . . . . 50.0 109.458 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.75 -32.89 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 118.555 -0.736 . . . . 50.0 109.755 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.1 mt -83.02 -41.01 16.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 123.133 1.444 . . . . 50.0 109.546 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.71 79.96 7.26 Favored 'General case' 0 CA--C 1.59 2.499 0 CA-C-N 113.102 -1.863 . . . . 25.0 112.298 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 84.56 65.47 0.01 OUTLIER 'General case' 0 N--CA 1.539 3.992 0 C-N-CA 127.259 2.223 . . . . 25.0 106.729 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.415 3.455 0 CA-C-N 112.157 -2.292 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 CA-C-O 123.854 1.808 . . . . 25.0 116.131 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.63 -30.95 49.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 O-C-N 120.739 -1.448 . . . . 50.0 110.921 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.14 -41.56 66.99 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.766 -1.198 . . . . 50.0 107.766 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -59.56 -32.27 70.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.126 0.965 . . . . 50.0 112.059 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -69.99 -38.22 75.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.501 -0.555 . . . . 50.0 109.501 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.36 -39.8 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.541 0.686 . . . . 50.0 109.322 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -64.29 -41.65 96.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.426 0.631 . . . . 25.0 110.773 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.1 -22.85 62.04 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 120.719 -1.238 . . . . 50.0 111.314 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -68.81 -46.58 68.25 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.15 -29.12 67.93 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 120.182 -0.607 . . . . 50.0 111.413 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -64.42 -36.17 83.29 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.589 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -62.21 -31.89 72.48 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.72 0.637 . . . . 50.0 112.72 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.05 -34.38 66.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.288 0.566 . . . . 50.0 109.858 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -83.78 -41.38 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.544 0.688 . . . . 50.0 109.824 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.44 70.53 3.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.772 -0.649 . . . . 25.0 111.441 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 tttp 80.11 92.21 0.05 Allowed 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 128.157 2.583 . . . . 25.0 113.371 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.411 3.268 0 CA-C-N 113.417 -1.719 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.538 0 CA-C-O 123.283 1.49 . . . . 25.0 115.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 pt -65.75 -27.74 42.19 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 O-C-N 120.534 -1.568 . . . . 50.0 114.27 -171.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 tt -67.24 -41.8 85.04 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.737 -1.227 . . . . 50.0 108.24 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 t -67.11 -41.05 86.87 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-N 115.313 -0.858 . . . . 50.0 109.44 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -62.85 -44.63 95.63 Favored 'General case' 0 C--O 1.207 -1.178 0 O-C-N 123.646 0.591 . . . . 50.0 110.129 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.33 -38.71 92.0 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.867 0.842 . . . . 50.0 110.695 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -64.23 -44.51 91.61 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -74.57 -21.11 59.67 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.412 -1.43 . . . . 50.0 114.096 176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -60.91 -37.52 82.51 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -41.37 60.61 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.905 -0.405 . . . . 50.0 109.905 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -58.95 -27.42 65.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.432 1.093 . . . . 25.0 112.521 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -62.41 -37.88 87.53 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 112.991 0.738 . . . . 50.0 112.991 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.65 -35.53 61.44 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 CA-C-O 121.51 0.671 . . . . 50.0 110.031 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.5 mm -66.81 -25.94 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.686 0.794 . . . . 50.0 110.773 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 73.69 9.18 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 120.964 -1.085 . . . . 25.0 109.995 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.293 41.3 tttm 88.05 90.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 127.309 2.881 . . . . 25.0 111.133 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.388 2.259 0 CA-C-N 114.371 -1.286 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.532 5.034 0 N-CA-C 116.592 1.397 . . . . 25.0 116.592 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -61.43 -28.12 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 114.208 -0.996 . . . . 50.0 110.764 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tt -73.49 -41.31 63.28 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.65 -2.722 . . . . 50.0 103.65 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -69.32 -28.86 66.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.66 0.663 . . . . 50.0 112.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -65.72 -44.96 84.48 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.758 -1.201 . . . . 50.0 107.758 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.83 -40.1 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 123.034 1.397 . . . . 50.0 110.543 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -58.2 -42.2 85.63 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 113.069 -1.878 . . . . 25.0 111.715 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -71.88 -28.17 63.34 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.769 1.026 . . . . 50.0 113.769 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.21 -35.77 81.88 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.21 -0.931 . . . . 25.0 109.283 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.83 74.35 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.098 -1.626 . . . . 50.0 108.481 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -61.76 -28.22 69.29 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -54.73 -40.88 69.71 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.081 -1.081 . . . . 50.0 108.081 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mt -70.51 -35.51 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 122.347 1.07 . . . . 50.0 108.944 -172.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.2 mm -83.8 -1.27 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 C-N-CA 124.519 1.128 . . . . 50.0 113.587 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.51 60.94 1.68 Allowed 'General case' 0 C--O 1.25 1.079 0 O-C-N 120.827 -1.171 . . . . 25.0 110.016 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.313 46.6 mttp 70.34 85.57 0.13 Allowed 'General case' 0 N--CA 1.527 3.415 0 O-C-N 126.788 2.555 . . . . 25.0 112.135 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.443 4.646 0 CA-C-N 113.378 -1.737 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.739 0 CA-C-O 123.395 1.553 . . . . 25.0 114.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.1 -41.85 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 107.028 -1.471 . . . . 50.0 107.028 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.84 -41.74 99.46 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.22 -0.9 . . . . 50.0 110.513 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -64.79 -38.96 92.73 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.991 -0.443 . . . . 50.0 111.012 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -63.76 -49.64 72.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.26 -0.644 . . . . 50.0 109.26 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -41.94 87.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.297 0.57 . . . . 50.0 111.056 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -61.63 -45.85 92.31 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.474 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -70.71 -21.57 62.54 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.167 -0.958 . . . . 50.0 112.929 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.7 -45.67 91.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.895 0.771 . . . . 25.0 109.645 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -33.77 76.57 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.453 0.644 . . . . 50.0 110.011 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -66.36 -30.37 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.709 -0.619 . . . . 25.0 111.68 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.23 -34.53 77.85 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 119.477 -0.297 . . . . 50.0 111.349 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -63.71 -34.26 66.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.701 0.762 . . . . 50.0 110.05 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mm -74.66 -31.92 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 121.623 0.725 . . . . 50.0 109.686 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.58 -34.02 41.18 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 114.41 1.263 . . . . 25.0 114.41 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -153.22 -61.0 0.14 Allowed 'General case' 0 N--CA 1.506 2.361 0 CA-C-O 122.49 1.138 . . . . 25.0 113.28 -174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.41 3.205 0 O-C-N 121.283 -0.885 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 2.743 0 N-CA-C 120.445 2.938 . . . . 25.0 120.445 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.25 -44.42 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 112.586 -1.807 . . . . 50.0 109.127 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.54 -45.54 79.1 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 121.638 -0.664 . . . . 50.0 112.013 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 -47.99 57.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.799 -0.815 . . . . 50.0 108.799 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.83 -42.43 75.75 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 114.999 -1.001 . . . . 50.0 110.569 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.1 t90 -63.5 -40.96 98.44 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-O 121.887 0.851 . . . . 25.0 112.028 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -72.05 -30.03 64.76 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 120.251 -1.531 . . . . 50.0 109.441 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -60.67 -45.35 94.46 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 121.474 -0.766 . . . . 25.0 110.793 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.91 -27.7 63.0 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 121.112 0.482 . . . . 50.0 110.07 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -70.11 -41.5 73.9 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -57.85 -30.83 66.1 Favored 'General case' 0 C--O 1.2 -1.533 0 CA-C-N 115.636 -0.711 . . . . 50.0 112.543 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.5 -41.68 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm -75.36 -37.99 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 109.4 -0.592 . . . . 50.0 109.4 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.98 50.08 1.09 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 118.629 -0.7 . . . . 25.0 111.282 -174.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? 68.53 93.05 0.08 Allowed 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 125.384 2.516 . . . . 25.0 113.76 173.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.492 0 CA-C-N 113.164 -1.835 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.675 0 CA-C-O 123.886 1.826 . . . . 25.0 114.82 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.0 -45.66 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 121.062 -1.258 . . . . 50.0 110.527 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.79 -41.49 97.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 50.0 111.056 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -34.56 78.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 50.0 111.56 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -70.53 -38.1 74.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 50.0 109.753 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -40.62 90.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.292 0.567 . . . . 50.0 109.556 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -63.49 -49.0 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.961 -0.462 . . . . 25.0 111.158 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -68.63 -21.64 64.46 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.3 -0.875 . . . . 50.0 112.369 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -61.35 -38.21 86.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.578 -0.156 . . . . 25.0 110.578 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -37.04 78.42 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.219 -0.592 . . . . 50.0 110.276 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -64.72 -29.32 70.3 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -56.54 -39.69 73.84 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.658 0.266 . . . . 50.0 110.627 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -67.01 -38.77 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.256 0.551 . . . . 50.0 110.261 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.8 mm -69.6 -38.67 77.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.664 -0.698 . . . . 50.0 110.247 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.29 82.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.6 mttm 81.09 84.62 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 127.872 2.469 . . . . 25.0 110.01 -178.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.412 3.289 0 CA-C-N 113.317 -1.765 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.821 0 CA-C-O 124.853 2.363 . . . . 25.0 113.552 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.68 -45.22 99.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 113.159 -1.521 . . . . 50.0 109.85 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.16 -32.82 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 50.0 111.537 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.86 87.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 50.0 111.296 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -75.06 -25.56 58.72 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.004 -0.678 . . . . 50.0 112.809 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.15 -41.84 85.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.231 -1.026 . . . . 50.0 108.231 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -66.65 -41.29 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.157 -0.929 . . . . 25.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -71.35 -27.96 63.72 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.926 -1.109 . . . . 50.0 110.511 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.94 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.95 -31.24 68.87 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.474 -0.49 . . . . 50.0 111.227 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -69.29 -32.16 71.14 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.733 -0.604 . . . . 25.0 111.067 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HE2' ' HN1' ' A' ' 101' ' ' NH2 . 82.0 tttt -65.15 -30.35 71.27 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 122.172 -0.33 . . . . 50.0 111.239 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.14 -37.79 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.605 -0.517 . . . . 50.0 109.605 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mm -79.02 -37.58 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.267 0.556 . . . . 50.0 111.155 178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.88 -24.04 59.67 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -175.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 85.87 107.91 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 128.995 2.918 . . . . 25.0 112.386 -175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . 0.438 ' HN1' ' HE2' ' A' ' 12' ' ' LYS . . . . . . . . 0 C--N 1.42 3.655 0 CA-C-N 113.952 -1.476 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 CA-C-O 123.834 1.797 . . . . 25.0 116.048 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 pt -64.98 -25.18 37.1 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.001 0 O-C-N 120.858 -1.377 . . . . 50.0 111.491 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.73 -34.7 72.17 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.33 -0.856 . . . . 50.0 109.139 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -64.86 -32.82 74.7 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 123.56 0.538 . . . . 50.0 111.321 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -68.95 -39.86 79.27 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.314 0.578 . . . . 50.0 109.758 177.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.2 mt -66.74 -44.35 81.73 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 119.075 -0.488 . . . . 50.0 109.782 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -57.7 -50.77 72.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.31 0.381 . . . . 25.0 111.639 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -63.87 -23.02 67.19 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.363 -0.836 . . . . 50.0 112.466 -174.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -67.99 -29.35 68.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 119.123 0.874 . . . . 25.0 110.345 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -38.89 79.39 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.853 -0.795 . . . . 50.0 108.853 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -68.51 -29.73 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.595 0.712 . . . . 25.0 110.545 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -59.89 -30.45 69.03 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.494 -0.754 . . . . 50.0 112.849 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.91 -37.04 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-O 121.634 0.73 . . . . 50.0 109.609 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.8 mm -77.32 -37.21 25.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.299 -0.864 . . . . 50.0 110.422 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.14 72.32 10.42 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -133.14 -63.5 0.76 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.131 1.372 . . . . 25.0 113.186 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.424 3.838 0 O-C-N 121.749 -0.594 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.677 0 CA-C-O 123.915 1.842 . . . . 25.0 115.384 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.3 pt -64.99 -19.67 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 120.363 -1.669 . . . . 50.0 112.482 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.17 -35.23 79.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.268 -0.271 . . . . 50.0 110.268 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -65.44 -33.99 77.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 50.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -71.93 -38.99 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.253 0.549 . . . . 50.0 109.943 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.11 -42.02 97.02 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.496 0.665 . . . . 50.0 109.652 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -64.62 -49.05 72.59 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 114.983 -1.008 . . . . 25.0 110.984 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.91 -22.53 65.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.956 -1.09 . . . . 50.0 111.896 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -60.94 -46.41 90.8 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 121.864 -0.522 . . . . 25.0 110.232 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.89 -38.59 83.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.39 . . . . 50.0 110.292 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -63.78 -31.85 73.16 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.561 -0.712 . . . . 25.0 111.397 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -66.36 -33.62 76.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 50.0 112.197 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.03 -37.3 72.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm -67.52 -32.6 57.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.035 -0.529 . . . . 50.0 111.352 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.01 99.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 115.627 1.714 . . . . 25.0 115.627 -173.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 174.17 -34.45 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.09 0 C-N-CA 126.636 1.975 . . . . 25.0 114.577 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.425 3.888 0 CA-C-N 115.776 -0.647 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.829 0 CA-C-O 127.601 3.889 . . . . 25.0 112.22 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.09 -47.95 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 112.117 -2.041 . . . . 50.0 108.603 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -43.06 96.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 50.0 111.075 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -35.03 78.96 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 123.933 0.893 . . . . 50.0 111.971 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -70.21 -40.61 74.46 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.82 -0.752 . . . . 50.0 110.715 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.09 -35.6 80.94 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.488 -0.778 . . . . 50.0 110.486 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.74 -46.85 86.14 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.678 0.752 . . . . 25.0 111.329 178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -69.64 -33.3 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.893 -1.13 . . . . 50.0 108.583 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -63.79 -35.9 82.12 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 119.396 -0.335 . . . . 25.0 111.201 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -39.99 87.79 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.621 0.724 . . . . 50.0 109.355 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -65.23 -34.48 78.46 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.538 -0.726 . . . . 25.0 111.037 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.64 -40.76 97.69 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.481 -0.327 . . . . 50.0 110.715 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.24 -37.03 78.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-O 121.392 0.615 . . . . 50.0 110.568 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mm -73.27 -34.53 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-O 121.478 0.656 . . . . 50.0 110.698 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.22 -53.01 8.87 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.33 -67.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.318 1.847 . . . . 25.0 112.833 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.189 0 O-C-N 120.21 -1.557 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.951 0 CA-C-O 125.092 2.496 . . . . 25.0 111.083 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.08 -39.32 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 CA-C-N 112.094 -2.053 . . . . 50.0 106.909 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -39.73 78.06 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 121.458 0.647 . . . . 50.0 112.238 173.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.6 t -63.05 -36.39 83.42 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 -176.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -72.22 -40.29 67.92 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-O 116.644 -1.645 . . . . 50.0 113.432 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.99 -34.65 78.01 Favored 'General case' 0 C--O 1.258 1.502 0 CA-C-N 120.912 1.687 . . . . 50.0 113.02 174.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -63.53 -48.94 75.48 Favored 'General case' 0 C--O 1.268 2.032 0 CA-C-N 114.23 -1.35 . . . . 25.0 110.897 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -72.86 -27.18 61.77 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 113.793 1.034 . . . . 50.0 113.793 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -65.28 -42.93 92.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.98 -20.63 59.58 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -67.48 -31.1 71.01 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.75 -33.35 71.55 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 114.095 1.146 . . . . 50.0 114.095 174.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.65 -30.67 29.84 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 N-CA-C 106.886 -1.524 . . . . 50.0 106.886 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt -76.84 -42.66 33.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 O-C-N 120.416 -1.428 . . . . 50.0 112.786 178.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.42 53.54 1.7 Allowed 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.364 1.04 . . . . 25.0 111.677 -176.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt 77.02 100.8 0.07 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 127.241 2.216 . . . . 25.0 112.598 178.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.388 2.244 0 CA-C-N 115.628 -0.715 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.753 0 CA-C-O 124.667 2.259 . . . . 25.0 111.321 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.2 pt -64.68 -33.99 66.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 CA-C-N 112.932 -1.634 . . . . 50.0 113.077 177.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.96 -36.04 69.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 O-C-N 119.939 -1.726 . . . . 50.0 108.978 172.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -67.94 -31.27 70.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.855 -1.153 . . . . 50.0 109.142 -175.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -70.75 -44.56 66.5 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 116.065 -0.516 . . . . 50.0 111.412 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.07 -36.17 80.85 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 121.634 0.73 . . . . 50.0 111.268 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -69.21 -46.14 68.13 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.263 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -68.82 -25.09 64.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.662 -1.274 . . . . 50.0 110.805 178.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -63.21 -42.22 99.26 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.414 -0.914 . . . . 25.0 109.009 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.11 -37.68 81.43 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.76 0.791 . . . . 50.0 110.94 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.56 -33.9 77.0 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -33.54 76.24 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-O 118.468 -0.777 . . . . 50.0 112.535 177.404 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -56.12 -38.14 52.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 113.82 1.045 . . . . 50.0 113.82 174.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.1 mm -83.42 -32.34 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-O 122.29 1.043 . . . . 50.0 111.272 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.82 95.37 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-N 113.845 -1.525 . . . . 25.0 111.402 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -151.43 -80.15 0.11 Allowed 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 126.466 1.906 . . . . 25.0 110.474 -170.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.514 0 O-C-N 121.803 -0.561 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.871 0 CA-C-O 125.405 2.669 . . . . 25.0 116.117 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.0 mt -62.96 -44.3 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 120.694 -1.474 . . . . 50.0 111.041 -172.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.83 -22.03 60.87 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.265 -0.897 . . . . 50.0 111.872 178.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -67.75 -30.08 69.47 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.21 -0.931 . . . . 50.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -69.41 -39.55 77.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.326 1.06 . . . . 50.0 109.02 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.62 -40.62 80.3 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 115.233 -0.894 . . . . 50.0 108.888 179.012 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -60.58 -48.44 81.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.482 -178.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -30.05 68.34 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.937 -1.102 . . . . 50.0 111.013 178.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.32 -46.47 83.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.86 0.3 . . . . 25.0 110.923 178.399 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.32 -28.88 64.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 118.502 0.592 . . . . 50.0 110.815 -178.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -66.81 -35.16 79.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.634 179.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -64.21 -32.71 74.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.535 0.568 . . . . 50.0 112.535 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mm -69.81 -38.88 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.598 -0.89 . . . . 50.0 108.598 -175.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.02 -34.79 73.01 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 O-C-N 124.038 0.837 . . . . 50.0 109.515 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.79 -47.11 55.71 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -177.249 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -167.74 -52.48 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 115.191 1.552 . . . . 25.0 115.191 -170.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.445 4.721 0 CA-C-N 114.802 -1.09 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.06 0 CA-C-O 124.48 2.155 . . . . 25.0 116.442 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.5 mt -74.85 -41.75 46.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 113.728 -1.236 . . . . 50.0 111.415 -174.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.72 -31.42 69.6 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.491 -0.756 . . . . 50.0 110.929 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -59.16 -34.17 71.77 Favored 'General case' 0 C--O 1.246 0.896 0 O-C-N 124.265 0.978 . . . . 50.0 113.468 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -61.14 -51.45 69.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 123.822 0.702 . . . . 50.0 109.355 178.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.7 -41.19 98.16 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.994 -0.743 . . . . 50.0 108.994 -177.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -61.48 -47.49 85.43 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.204 -0.907 . . . . 25.0 110.864 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -66.24 -25.99 67.15 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.073 -1.017 . . . . 50.0 112.592 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -62.59 -43.81 97.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 119.095 -0.479 . . . . 25.0 110.199 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -30.71 65.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 119.668 -0.813 . . . . 50.0 110.212 177.215 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -64.07 -26.29 68.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 119.017 -0.516 . . . . 25.0 112.367 176.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.97 -37.34 86.72 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 117.833 0.288 . . . . 50.0 110.26 175.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -64.36 -35.59 74.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.645 0 CA-C-O 121.698 0.761 . . . . 50.0 110.307 -177.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt -74.94 -32.58 27.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-N 115.499 -0.773 . . . . 50.0 109.979 178.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.58 -47.32 41.45 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -172.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -174.84 35.2 0.01 OUTLIER 'General case' 0 N--CA 1.532 3.629 0 C-N-CA 126.768 2.027 . . . . 25.0 112.501 -175.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.423 3.804 0 O-C-N 120.586 -1.321 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.982 0 CA-C-O 123.376 1.542 . . . . 25.0 116.057 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.09 -35.02 62.61 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-O 122.113 0.958 . . . . 50.0 110.791 178.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.9 -40.15 95.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.207 -0.906 . . . . 50.0 109.911 178.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -65.67 -30.92 71.68 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.893 0.701 . . . . 50.0 112.893 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -68.36 -42.45 79.16 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 177.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.19 -42.54 99.37 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.439 0.637 . . . . 50.0 109.911 178.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -60.19 -49.63 76.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.155 -178.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -73.39 -27.63 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.712 -1.242 . . . . 50.0 112.126 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -57.09 -49.14 76.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 120.917 -0.313 . . . . 25.0 110.703 173.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.98 -26.82 63.31 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.783 -0.573 . . . . 50.0 111.405 -178.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -70.28 -21.52 62.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 178.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.75 -31.15 66.2 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 120.883 0.373 . . . . 50.0 111.851 176.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.64 -28.7 42.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 CA-C-O 121.401 0.62 . . . . 50.0 109.929 -178.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 mm -89.29 -32.36 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.126 0.488 . . . . 50.0 110.588 178.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.31 80.0 9.22 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 -176.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 75.98 79.98 0.1 Allowed 'General case' 0 N--CA 1.503 2.208 0 CA-C-O 125.129 2.395 . . . . 25.0 112.034 176.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.598 0 CA-C-N 112.754 -2.021 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.278 0 CA-C-O 123.315 1.508 . . . . 25.0 113.599 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.6 mm -62.59 -38.79 82.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 O-C-N 120.661 -1.493 . . . . 50.0 114.483 -176.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.04 -33.07 74.92 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 120.948 -1.095 . . . . 50.0 109.92 176.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -31.04 69.66 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.823 0.344 . . . . 50.0 110.55 -176.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -63.14 -52.95 60.45 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.605 0.717 . . . . 50.0 110.871 175.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.85 -45.37 78.46 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.05 0.94 . . . . 50.0 112.16 175.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.78 -48.06 83.2 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 114.097 -1.41 . . . . 25.0 112.407 178.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -69.69 -21.14 63.53 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 120.198 -1.564 . . . . 50.0 113.472 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -36.74 82.61 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -30.92 40.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.763 -0.458 . . . . 50.0 109.763 178.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.42 -23.45 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.203 -0.936 . . . . 25.0 110.175 177.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.59 -37.78 82.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.489 0.493 . . . . 50.0 112.323 174.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.07 -36.68 77.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-O 121.591 0.71 . . . . 50.0 109.856 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.8 mm -76.33 -41.45 36.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.019 -0.734 . . . . 50.0 109.019 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.14 62.59 6.7 Favored 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 123.271 0.628 . . . . 25.0 112.231 -177.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 68.09 0.91 Allowed 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 125.627 2.632 . . . . 25.0 112.075 177.633 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.427 3.941 0 CA-C-N 113.812 -1.54 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.724 0 CA-C-O 124.818 2.343 . . . . 25.0 113.02 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.5 pt -63.54 -17.61 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 112.823 -1.688 . . . . 50.0 112.595 -178.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.62 -34.84 76.35 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.603 -0.517 . . . . 50.0 109.603 176.371 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -36.33 82.89 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.634 -0.257 . . . . 50.0 110.622 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -64.64 -42.32 95.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.029 0.442 . . . . 50.0 110.52 178.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.2 -41.37 98.3 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.657 0.742 . . . . 50.0 109.565 177.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -67.63 -42.85 81.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.493 -179.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.23 -25.83 64.5 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.114 -0.991 . . . . 50.0 110.861 -178.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -59.6 -37.24 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -42.86 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.12 -0.696 . . . . 50.0 109.12 177.213 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -61.4 -38.97 89.01 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.165 -0.335 . . . . 25.0 111.324 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -30.19 71.21 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.63 0.604 . . . . 50.0 112.63 -178.251 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.49 -37.1 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 50.0 108.757 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.17 -41.38 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.363 0.602 . . . . 50.0 109.913 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.31 73.83 1.37 Allowed 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 177.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -114.12 -43.85 3.19 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.68 1.992 . . . . 25.0 112.778 -175.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.408 3.147 0 CA-C-N 115.818 -0.628 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.702 0 CA-C-O 124.74 2.3 . . . . 25.0 113.136 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.6 pt -63.24 -29.79 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 112.801 -1.7 . . . . 50.0 111.38 -179.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.44 -36.31 73.89 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.6 -0.519 . . . . 50.0 109.6 177.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 t -65.78 -36.43 83.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.661 -0.496 . . . . 50.0 109.661 178.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -65.78 -40.97 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.963 -0.295 . . . . 50.0 110.76 176.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.45 -43.22 91.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 122.012 0.911 . . . . 50.0 109.176 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -62.76 -42.0 99.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.203 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -67.1 -35.28 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.324 -0.86 . . . . 50.0 110.067 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.26 -38.25 86.04 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 111.524 0.194 . . . . 25.0 111.524 177.37 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.1 -33.34 44.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.249 -0.58 . . . . 50.0 111.826 176.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.74 -30.55 70.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.745 0.307 . . . . 25.0 110.861 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -55.75 -35.36 66.1 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.084 0.401 . . . . 50.0 112.084 176.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.38 -40.09 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.149 0.5 . . . . 50.0 110.181 -178.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -76.64 -32.89 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.393 0.615 . . . . 50.0 110.036 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.72 -49.83 64.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -177.56 124.17 0.13 Allowed 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 126.386 1.875 . . . . 25.0 110.977 -177.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.403 2.893 0 CA-C-N 115.327 -0.851 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 CA-C-O 124.8 2.334 . . . . 25.0 113.048 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 pt -64.75 -16.95 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 112.14 -2.03 . . . . 50.0 111.995 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.45 -29.43 70.51 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 116.14 -0.482 . . . . 50.0 110.198 176.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.2 p -64.03 -33.45 75.76 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.654 -0.419 . . . . 50.0 111.855 178.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -70.86 -39.47 72.9 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.836 -0.431 . . . . 50.0 109.836 179.155 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.44 -43.26 94.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.632 0.73 . . . . 50.0 109.234 176.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.95 -46.66 86.71 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.282 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -69.14 -25.58 64.46 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.037 -0.665 . . . . 50.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -68.78 -37.35 79.25 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.373 -0.931 . . . . 25.0 110.738 173.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -38.88 85.51 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.109 -1.071 . . . . 50.0 108.109 176.481 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.43 -35.64 79.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.123 -0.361 . . . . 25.0 110.848 178.077 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.83 -32.93 74.6 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.5 0.556 . . . . 50.0 112.5 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.1 -37.11 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.145 -0.687 . . . . 50.0 109.145 177.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 mm -74.38 -38.64 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.038 -0.727 . . . . 50.0 109.038 179.226 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.55 68.86 1.6 Allowed 'General case' 0 C--O 1.256 1.441 0 N-CA-C 113.789 1.033 . . . . 25.0 113.789 178.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm 74.57 94.4 0.07 Allowed 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 128.084 2.553 . . . . 25.0 112.733 176.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.406 3.038 0 CA-C-N 113.773 -1.558 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.741 0 CA-C-O 124.063 1.924 . . . . 25.0 113.013 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 pt -71.15 -27.05 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 113.889 -1.156 . . . . 50.0 110.064 -177.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.01 -43.69 82.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.989 -0.745 . . . . 50.0 108.989 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -31.81 72.98 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.463 -0.79 . . . . 50.0 110.541 178.514 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -69.44 -43.87 72.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.966 0.889 . . . . 50.0 110.691 177.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.9 -45.8 92.15 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.411 -0.588 . . . . 50.0 109.411 178.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -60.08 -46.98 87.76 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.549 0.69 . . . . 25.0 111.519 178.597 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.5 -32.76 73.8 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 119.899 -1.751 . . . . 50.0 110.908 -176.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.6 -45.32 92.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.886 0.767 . . . . 25.0 112.181 177.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.22 -26.18 64.68 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.212 -0.93 . . . . 50.0 110.056 179.385 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.07 -31.8 70.81 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.165 -0.334 . . . . 25.0 111.068 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -57.85 -41.87 83.26 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.999 -0.438 . . . . 50.0 111.441 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mt -63.53 -38.57 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 115.922 -0.581 . . . . 50.0 110.619 -173.111 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt -77.58 -34.61 20.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 CA-C-O 121.284 0.564 . . . . 50.0 111.617 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.12 -48.27 44.99 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.882 1.438 . . . . 25.0 114.882 -172.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -165.79 -63.19 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 122.786 1.279 . . . . 25.0 113.472 -173.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.714 0 CA-C-N 114.877 -1.056 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.471 0.604 0 CA-C-O 120.974 0.416 . . . . 25.0 110.138 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.92 -31.99 71.5 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.127 -0.488 . . . . 25.0 109.942 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.7 t -64.73 -32.39 74.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.22 -0.3 . . . . 25.0 110.658 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -68.62 -35.47 77.35 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.411 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.98 -38.77 72.75 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.9 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -70.46 -21.72 62.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 119.12 -1.032 . . . . 25.0 110.653 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -39.44 79.01 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 118.838 0.745 . . . . 25.0 112.515 172.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.16 -30.53 63.64 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.021 -1.049 . . . . 25.0 108.779 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -66.87 -29.42 69.32 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.264 -0.897 . . . . 25.0 109.303 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -62.17 -33.29 74.25 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.287 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -71.63 -35.32 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 123.959 0.787 . . . . 25.0 109.344 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -179.675 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.246 0.903 0 CA-C-O 120.805 0.336 . . . . 25.0 111.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.07 -29.48 70.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 t -62.84 -29.67 70.91 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.691 -0.631 . . . . 25.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -67.51 -47.42 70.02 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.18 -42.96 99.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 25.0 110.079 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -62.81 -48.52 78.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.516 0.674 . . . . 25.0 111.198 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.66 -21.55 62.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 120.926 -1.109 . . . . 25.0 112.201 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.3 -37.73 83.86 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.927 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -39.13 82.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.6 -35.44 74.32 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.951 -0.468 . . . . 25.0 110.94 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -58.5 -34.66 71.17 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.8 -31.28 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 123.444 0.465 . . . . 25.0 111.242 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 121.251 0.548 . . . . 25.0 110.586 -178.674 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--O 1.211 -0.937 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.38 -41.31 93.51 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.883 0.373 . . . . 25.0 110.971 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.5 t -65.63 -33.4 75.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.433 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -65.8 -42.84 90.19 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.974 -0.454 . . . . 25.0 109.898 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.97 -42.59 99.87 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.352 0.596 . . . . 25.0 109.965 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.3 -48.08 79.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.545 0.688 . . . . 25.0 111.805 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -67.52 -26.08 66.15 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.466 -1.396 . . . . 25.0 111.291 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -69.27 -29.29 67.16 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.505 0.593 . . . . 25.0 110.166 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -72.08 -22.4 61.36 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.446 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.2 -34.93 75.88 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.342 0.519 . . . . 25.0 109.997 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -74.2 -40.59 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--O 1.217 -0.648 0 CA-C-O 121.006 0.431 . . . . 25.0 111.448 179.42 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 C--O 1.26 1.652 0 CA-C-O 122.314 1.054 . . . . 25.0 108.775 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.26 -43.01 96.51 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.465 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -36.35 72.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.463 -0.79 . . . . 25.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -67.33 -40.36 85.9 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.558 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.57 -35.87 65.51 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -63.84 -49.47 72.66 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -66.09 -30.99 71.6 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 119.66 -1.9 . . . . 25.0 108.87 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -58.25 -32.14 68.07 Favored 'General case' 0 C--O 1.171 -3.071 0 O-C-N 124.895 1.372 . . . . 25.0 110.007 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -42.83 83.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 122.391 1.091 . . . . 25.0 111.747 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -66.68 -33.41 75.57 Favored 'General case' 0 C--O 1.203 -1.355 0 O-C-N 120.481 -1.387 . . . . 25.0 111.239 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -33.67 71.56 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 108.442 -0.947 . . . . 25.0 108.442 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.18 -36.53 62.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.374 0 CA-C-O 122.695 1.236 . . . . 25.0 110.73 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--O 1.203 -1.36 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.29 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.235 0.341 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.91 -36.88 85.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.284 -0.416 . . . . 25.0 110.76 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -64.05 -38.07 89.73 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.875 -0.516 . . . . 25.0 109.964 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.103 -0.373 . . . . 25.0 110.848 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.61 -42.35 87.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.083 0.468 . . . . 25.0 110.303 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -64.92 -48.62 73.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 25.0 111.074 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.59 -26.18 65.25 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.249 -0.907 . . . . 25.0 111.292 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.05 -37.37 87.17 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 110.126 -0.324 . . . . 25.0 110.126 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.21 84.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.01 -21.3 65.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -60.39 -35.55 76.01 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.734 -0.604 . . . . 25.0 110.692 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mt -70.79 -31.32 45.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-O 121.221 0.534 . . . . 25.0 109.592 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mm . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.774 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.9 mm . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 121.945 0.878 . . . . 25.0 109.727 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.56 -42.09 95.88 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.231 -0.895 . . . . 25.0 110.851 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.2 p -65.84 -29.3 69.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.868 -0.52 . . . . 25.0 109.761 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 t -64.4 -49.99 69.38 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.349 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.68 -45.17 95.15 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -60.83 -45.79 93.1 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-N 115.639 -0.71 . . . . 25.0 112.075 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -70.65 -29.9 66.37 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 121.249 -0.907 . . . . 25.0 109.823 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.42 -42.11 96.22 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 119.203 -0.999 . . . . 25.0 110.409 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.52 -28.36 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 119.9 -0.72 . . . . 25.0 110.505 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -66.66 -36.52 82.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 122.091 -0.38 . . . . 25.0 110.505 173.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.33 -30.32 71.48 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mm -72.29 -39.29 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.314 -0.951 0 O-C-N 124.109 0.88 . . . . 25.0 110.556 -179.742 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.1 mt . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 108.651 -0.87 . . . . 25.0 108.651 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.88 -42.25 98.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.984 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.8 t -65.97 -39.6 90.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 25.0 110.487 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -64.99 -40.7 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.326 . . . . 25.0 110.606 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.81 -38.46 86.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 25.0 110.38 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -64.05 -47.17 81.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.382 0.61 . . . . 25.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -69.49 -26.73 64.7 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.126 -0.984 . . . . 25.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -63.56 -37.78 88.63 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.013 -0.429 . . . . 25.0 110.053 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -38.54 87.45 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -67.36 -33.11 74.54 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.212 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.4 -30.58 68.55 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -61.45 -35.36 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.383 0.611 . . . . 25.0 109.627 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 178.472 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 pt . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.3 tp -78.05 -36.94 47.82 Favored 'General case' 0 C--O 1.192 -1.932 0 CA-C-O 122.527 1.156 . . . . 25.0 111.661 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.4 t -65.24 -39.19 92.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 120.342 -1.474 . . . . 25.0 109.723 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -59.99 -51.92 67.59 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.19 -42.7 81.7 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.629 0.772 . . . . 25.0 110.84 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -65.71 -44.7 85.29 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 123.442 1.592 . . . . 25.0 111.503 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -70.81 -25.2 62.75 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 119.862 -1.774 . . . . 25.0 109.571 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -69.18 -32.88 72.49 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.509 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -33.21 71.18 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 104.741 -2.318 . . . . 25.0 104.741 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -67.91 -25.96 65.75 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -63.61 -32.4 73.85 Favored 'General case' 0 C--O 1.201 -1.495 0 CA-C-O 118.845 -0.598 . . . . 25.0 110.137 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -79.17 -28.39 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 122.708 1.242 . . . . 25.0 110.368 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--N 1.314 -0.944 0 CA-C-O 122.452 1.12 . . . . 25.0 109.028 173.929 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.79 0.805 . . . . 25.0 112.119 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -36.13 77.9 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.575 -1.328 . . . . 25.0 108.96 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -63.41 -38.62 91.84 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.546 -0.721 . . . . 25.0 109.432 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -61.61 -46.37 90.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.339 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.3 -42.27 93.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.978 -1.01 . . . . 25.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -61.77 -42.46 99.02 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -75.2 -23.73 57.7 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 118.851 -1.14 . . . . 25.0 111.636 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.2 -41.42 81.4 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.828 -0.545 . . . . 25.0 109.98 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.75 -31.69 61.86 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 119.462 -0.895 . . . . 25.0 111.767 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -65.05 -33.84 77.0 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.016 -0.538 . . . . 25.0 109.843 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.24 -30.84 71.76 Favored 'General case' 0 C--O 1.192 -1.95 0 C-N-CA 122.795 0.438 . . . . 25.0 111.435 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.44 -37.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.474 0.754 0 CA-C-N 114.766 -1.106 . . . . 25.0 110.049 176.877 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.3 pt . . . . . 0 CA--C 1.494 -1.197 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -72.14 -35.71 69.16 Favored 'General case' 0 C--O 1.247 0.924 0 O-C-N 121.074 -1.016 . . . . 25.0 110.039 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -66.64 -34.06 77.04 Favored 'General case' 0 C--O 1.252 1.211 0 C-N-CA 119.747 -0.781 . . . . 25.0 111.11 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.855 0.462 . . . . 25.0 110.758 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.15 -37.74 61.22 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.14 0.971 . . . . 25.0 109.902 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.14 -43.04 96.45 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.023 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.22 -30.7 68.92 Favored 'General case' 0 N--CA 1.434 -1.256 0 O-C-N 121.693 -0.629 . . . . 25.0 112.109 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -64.25 -45.3 88.75 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.457 1.098 . . . . 25.0 110.867 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.97 -24.04 55.37 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 118.498 -0.763 . . . . 25.0 109.043 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -66.87 -34.74 78.45 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 119.936 1.244 . . . . 25.0 110.844 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -34.54 71.97 Favored 'General case' 0 C--O 1.195 -1.81 0 CA-C-O 118.341 -0.837 . . . . 25.0 109.458 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.75 -32.89 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 118.555 -0.736 . . . . 25.0 109.755 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 123.133 1.444 . . . . 25.0 109.546 -179.148 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.224 -0.277 0 CA-C-O 120.462 0.172 . . . . 25.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.14 -41.56 66.99 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -59.56 -32.27 70.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.126 0.965 . . . . 25.0 112.059 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -69.99 -38.22 75.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.36 -39.8 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.541 0.686 . . . . 25.0 109.322 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -64.29 -41.65 96.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.426 0.631 . . . . 25.0 110.773 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.1 -22.85 62.04 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 120.719 -1.238 . . . . 25.0 111.314 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -68.81 -46.58 68.25 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.15 -29.12 67.93 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 120.182 -0.607 . . . . 25.0 111.413 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -64.42 -36.17 83.29 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.589 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -62.21 -31.89 72.48 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.05 -34.38 66.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.288 0.566 . . . . 25.0 109.858 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.544 0.688 . . . . 25.0 109.824 178.493 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 114.27 1.211 . . . . 25.0 114.27 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 tt -67.24 -41.8 85.04 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.737 -1.227 . . . . 25.0 108.24 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 t -67.11 -41.05 86.87 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-N 115.313 -0.858 . . . . 25.0 109.44 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -62.85 -44.63 95.63 Favored 'General case' 0 C--O 1.207 -1.178 0 O-C-N 123.646 0.591 . . . . 25.0 110.129 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.33 -38.71 92.0 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.867 0.842 . . . . 25.0 110.695 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -64.23 -44.51 91.61 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -74.57 -21.11 59.67 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.412 -1.43 . . . . 25.0 114.096 176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -60.91 -37.52 82.51 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -41.37 60.61 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.905 -0.405 . . . . 25.0 109.905 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -58.95 -27.42 65.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.432 1.093 . . . . 25.0 112.521 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -62.41 -37.88 87.53 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.65 -35.53 61.44 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 CA-C-O 121.51 0.671 . . . . 25.0 110.031 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.5 mm . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 123.686 0.794 . . . . 25.0 110.773 -179.805 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 110.764 -0.087 . . . . 25.0 110.764 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tt -73.49 -41.31 63.28 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.65 -2.722 . . . . 25.0 103.65 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -69.32 -28.86 66.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.66 0.663 . . . . 25.0 112.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -65.72 -44.96 84.48 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.83 -40.1 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 123.034 1.397 . . . . 25.0 110.543 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -58.2 -42.2 85.63 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 113.069 -1.878 . . . . 25.0 111.715 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -71.88 -28.17 63.34 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.21 -35.77 81.88 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.21 -0.931 . . . . 25.0 109.283 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.83 74.35 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.098 -1.626 . . . . 25.0 108.481 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -61.76 -28.22 69.29 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -54.73 -40.88 69.71 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mt -70.51 -35.51 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 122.347 1.07 . . . . 25.0 108.944 -172.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 N--CA 1.501 2.106 0 C-N-CA 124.519 1.128 . . . . 25.0 113.587 179.579 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 107.028 -1.471 . . . . 25.0 107.028 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.84 -41.74 99.46 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.22 -0.9 . . . . 25.0 110.513 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -64.79 -38.96 92.73 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.991 -0.443 . . . . 25.0 111.012 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -63.76 -49.64 72.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -41.94 87.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.297 0.57 . . . . 25.0 111.056 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -61.63 -45.85 92.31 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.474 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -70.71 -21.57 62.54 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.167 -0.958 . . . . 25.0 112.929 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.7 -45.67 91.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.895 0.771 . . . . 25.0 109.645 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -33.77 76.57 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.453 0.644 . . . . 25.0 110.011 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -66.36 -30.37 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.709 -0.619 . . . . 25.0 111.68 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.23 -34.53 77.85 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 119.477 -0.297 . . . . 25.0 111.349 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -63.71 -34.26 66.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.701 0.762 . . . . 25.0 110.05 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mm . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.623 0.725 . . . . 25.0 109.686 178.882 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.625 0.726 . . . . 25.0 109.127 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.54 -45.54 79.1 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 121.638 -0.664 . . . . 25.0 112.013 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 -47.99 57.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.83 -42.43 75.75 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 114.999 -1.001 . . . . 25.0 110.569 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.406 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.1 t90 -63.5 -40.96 98.44 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-O 121.887 0.851 . . . . 25.0 112.028 -176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -72.05 -30.03 64.76 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 120.251 -1.531 . . . . 25.0 109.441 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -60.67 -45.35 94.46 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 121.474 -0.766 . . . . 25.0 110.793 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 7' ' ' TRP . 4.5 pp -71.91 -27.7 63.0 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 121.112 0.482 . . . . 25.0 110.07 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -70.11 -41.5 73.9 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -57.85 -30.83 66.1 Favored 'General case' 0 C--O 1.2 -1.533 0 CA-C-N 115.636 -0.711 . . . . 25.0 112.543 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.5 -41.68 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 109.4 -0.592 . . . . 25.0 109.4 -179.694 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.945 0.402 . . . . 25.0 110.527 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.79 -41.49 97.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.056 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -34.56 78.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 25.0 111.56 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -70.53 -38.1 74.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 25.0 109.753 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -40.62 90.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.292 0.567 . . . . 25.0 109.556 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -63.49 -49.0 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.961 -0.462 . . . . 25.0 111.158 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -68.63 -21.64 64.46 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.3 -0.875 . . . . 25.0 112.369 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -61.35 -38.21 86.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.578 -0.156 . . . . 25.0 110.578 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -37.04 78.42 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.219 -0.592 . . . . 25.0 110.276 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -64.72 -29.32 70.3 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -56.54 -39.69 73.84 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.658 0.266 . . . . 25.0 110.627 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -67.01 -38.77 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.256 0.551 . . . . 25.0 110.261 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.664 -0.698 . . . . 25.0 110.247 -179.809 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.486 0.66 . . . . 25.0 109.85 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.16 -32.82 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 25.0 111.537 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.86 87.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 25.0 111.296 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -75.06 -25.56 58.72 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.004 -0.678 . . . . 25.0 112.809 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.15 -41.84 85.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.231 -1.026 . . . . 25.0 108.231 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -66.65 -41.29 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.157 -0.929 . . . . 25.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -71.35 -27.96 63.72 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.926 -1.109 . . . . 25.0 110.511 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.94 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.95 -31.24 68.87 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.474 -0.49 . . . . 25.0 111.227 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -69.29 -32.16 71.14 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.733 -0.604 . . . . 25.0 111.067 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.15 -30.35 71.27 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 122.172 -0.33 . . . . 25.0 111.239 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.14 -37.79 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mm . . . . . 0 CA--C 1.539 0.556 0 CA-C-O 121.267 0.556 . . . . 25.0 111.155 178.25 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 C--O 1.21 -1.001 0 CA-C-O 122.072 0.939 . . . . 25.0 111.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.73 -34.7 72.17 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.33 -0.856 . . . . 25.0 109.139 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -64.86 -32.82 74.7 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 123.56 0.538 . . . . 25.0 111.321 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -68.95 -39.86 79.27 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.314 0.578 . . . . 25.0 109.758 177.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.2 mt -66.74 -44.35 81.73 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 119.075 -0.488 . . . . 25.0 109.782 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -57.7 -50.77 72.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.31 0.381 . . . . 25.0 111.639 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -63.87 -23.02 67.19 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.363 -0.836 . . . . 25.0 112.466 -174.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -67.99 -29.35 68.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 119.123 0.874 . . . . 25.0 110.345 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -38.89 79.39 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -68.51 -29.73 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.595 0.712 . . . . 25.0 110.545 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -59.89 -30.45 69.03 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.494 -0.754 . . . . 25.0 112.849 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.91 -37.04 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-O 121.634 0.73 . . . . 25.0 109.609 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.8 mm . . . . . 0 C--N 1.31 -1.119 0 CA-C-N 115.299 -0.864 . . . . 25.0 110.422 -178.687 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.3 pt . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 112.482 0.549 . . . . 25.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.17 -35.23 79.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -65.44 -33.99 77.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 25.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -71.93 -38.99 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.253 0.549 . . . . 25.0 109.943 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.11 -42.02 97.02 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.496 0.665 . . . . 25.0 109.652 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -64.62 -49.05 72.59 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 114.983 -1.008 . . . . 25.0 110.984 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.91 -22.53 65.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.956 -1.09 . . . . 25.0 111.896 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -60.94 -46.41 90.8 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 121.864 -0.522 . . . . 25.0 110.232 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.89 -38.59 83.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.39 . . . . 25.0 110.292 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -63.78 -31.85 73.16 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.561 -0.712 . . . . 25.0 111.397 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -66.36 -33.62 76.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.03 -37.3 72.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 116.035 -0.529 . . . . 25.0 111.352 177.827 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -43.06 96.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.075 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -35.03 78.96 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 123.933 0.893 . . . . 25.0 111.971 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -70.21 -40.61 74.46 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.82 -0.752 . . . . 25.0 110.715 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.09 -35.6 80.94 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.486 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.74 -46.85 86.14 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.678 0.752 . . . . 25.0 111.329 178.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -69.64 -33.3 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.893 -1.13 . . . . 25.0 108.583 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -63.79 -35.9 82.12 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 119.396 -0.335 . . . . 25.0 111.201 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -39.99 87.79 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.621 0.724 . . . . 25.0 109.355 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -65.23 -34.48 78.46 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.538 -0.726 . . . . 25.0 111.037 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.64 -40.76 97.69 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.481 -0.327 . . . . 25.0 110.715 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.24 -37.03 78.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-O 121.392 0.615 . . . . 25.0 110.568 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mm . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 121.478 0.656 . . . . 25.0 110.698 177.985 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -39.73 78.06 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 121.458 0.647 . . . . 25.0 112.238 173.477 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.6 t -63.05 -36.39 83.42 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -176.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -72.22 -40.29 67.92 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-O 116.644 -1.645 . . . . 25.0 113.432 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.99 -34.65 78.01 Favored 'General case' 0 C--O 1.258 1.502 0 CA-C-N 120.912 1.687 . . . . 25.0 113.02 174.244 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -63.53 -48.94 75.48 Favored 'General case' 0 C--O 1.268 2.032 0 CA-C-N 114.23 -1.35 . . . . 25.0 110.897 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -72.86 -27.18 61.77 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 113.793 1.034 . . . . 25.0 113.793 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -65.28 -42.93 92.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.98 -20.63 59.58 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -67.48 -31.1 71.01 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.75 -33.35 71.55 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 114.095 1.146 . . . . 25.0 114.095 174.356 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.65 -30.67 29.84 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt . . . . . 0 C--N 1.317 -0.843 0 O-C-N 120.416 -1.428 . . . . 25.0 112.786 178.43 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.2 pt . . . . . 0 C--O 1.207 -1.157 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.96 -36.04 69.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 O-C-N 119.939 -1.726 . . . . 25.0 108.978 172.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -67.94 -31.27 70.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.855 -1.153 . . . . 25.0 109.142 -175.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -70.75 -44.56 66.5 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.412 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.07 -36.17 80.85 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 121.634 0.73 . . . . 25.0 111.268 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -69.21 -46.14 68.13 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.263 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -68.82 -25.09 64.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.662 -1.274 . . . . 25.0 110.805 178.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -63.21 -42.22 99.26 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.414 -0.914 . . . . 25.0 109.009 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.11 -37.68 81.43 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.76 0.791 . . . . 25.0 110.94 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.56 -33.9 77.0 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -33.54 76.24 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-O 118.468 -0.777 . . . . 25.0 112.535 177.404 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -56.12 -38.14 52.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 113.82 1.045 . . . . 25.0 113.82 174.699 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.1 mm . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 122.29 1.043 . . . . 25.0 111.272 -179.825 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.769 0.319 . . . . 25.0 111.041 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.83 -22.03 60.87 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.265 -0.897 . . . . 25.0 111.872 178.091 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -67.75 -30.08 69.47 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.21 -0.931 . . . . 25.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -69.41 -39.55 77.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.326 1.06 . . . . 25.0 109.02 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.62 -40.62 80.3 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 115.233 -0.894 . . . . 25.0 108.888 179.012 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -60.58 -48.44 81.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.482 -178.696 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -30.05 68.34 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.937 -1.102 . . . . 25.0 111.013 178.611 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.32 -46.47 83.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.86 0.3 . . . . 25.0 110.923 178.399 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.32 -28.88 64.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 118.502 0.592 . . . . 25.0 110.815 -178.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -66.81 -35.16 79.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.634 179.277 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -64.21 -32.71 74.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.535 0.568 . . . . 25.0 112.535 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mm -69.81 -38.88 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 -175.369 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--O 1.212 -0.921 0 O-C-N 124.038 0.837 . . . . 25.0 109.515 179.967 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.5 mt . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 121.705 0.764 . . . . 25.0 111.415 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.72 -31.42 69.6 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.491 -0.756 . . . . 25.0 110.929 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -59.16 -34.17 71.77 Favored 'General case' 0 C--O 1.246 0.896 0 O-C-N 124.265 0.978 . . . . 25.0 113.468 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -61.14 -51.45 69.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 123.822 0.702 . . . . 25.0 109.355 178.53 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.7 -41.19 98.16 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -177.692 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -61.48 -47.49 85.43 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.204 -0.907 . . . . 25.0 110.864 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -66.24 -25.99 67.15 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.073 -1.017 . . . . 25.0 112.592 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -62.59 -43.81 97.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 119.095 -0.479 . . . . 25.0 110.199 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -30.71 65.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 119.668 -0.813 . . . . 25.0 110.212 177.215 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -64.07 -26.29 68.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 119.017 -0.516 . . . . 25.0 112.367 176.071 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.97 -37.34 86.72 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 117.833 0.288 . . . . 25.0 110.26 175.109 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -64.36 -35.59 74.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.645 0 CA-C-O 121.698 0.761 . . . . 25.0 110.307 -177.103 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt . . . . . 0 C--O 1.218 -0.581 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.979 178.809 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.5 mt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 122.113 0.958 . . . . 25.0 110.791 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.9 -40.15 95.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.207 -0.906 . . . . 25.0 109.911 178.706 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -65.67 -30.92 71.68 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -68.36 -42.45 79.16 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.19 -42.54 99.37 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.439 0.637 . . . . 25.0 109.911 178.096 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -60.19 -49.63 76.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.155 -178.745 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -73.39 -27.63 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.712 -1.242 . . . . 25.0 112.126 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -57.09 -49.14 76.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 120.917 -0.313 . . . . 25.0 110.703 173.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.98 -26.82 63.31 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.783 -0.573 . . . . 25.0 111.405 -178.363 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -70.28 -21.52 62.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 178.43 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.75 -31.15 66.2 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 120.883 0.373 . . . . 25.0 111.851 176.214 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.64 -28.7 42.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 CA-C-O 121.401 0.62 . . . . 25.0 109.929 -178.578 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.126 0.488 . . . . 25.0 110.588 178.341 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 C--O 1.218 -0.561 0 N-CA-C 114.483 1.29 . . . . 25.0 114.483 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.04 -33.07 74.92 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 120.948 -1.095 . . . . 25.0 109.92 176.377 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -31.04 69.66 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.823 0.344 . . . . 25.0 110.55 -176.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -63.14 -52.95 60.45 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.605 0.717 . . . . 25.0 110.871 175.435 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.85 -45.37 78.46 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.05 0.94 . . . . 25.0 112.16 175.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.78 -48.06 83.2 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 114.097 -1.41 . . . . 25.0 112.407 178.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -69.69 -21.14 63.53 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 120.198 -1.564 . . . . 25.0 113.472 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -36.74 82.61 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -30.92 40.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.769 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.42 -23.45 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.203 -0.936 . . . . 25.0 110.175 177.566 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.59 -37.78 82.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.489 0.493 . . . . 25.0 112.323 174.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.07 -36.68 77.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-O 121.591 0.71 . . . . 25.0 109.856 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.8 mm . . . . . 0 C--N 1.317 -0.818 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.5 pt . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.62 -34.84 76.35 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 176.371 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -36.33 82.89 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.634 -0.257 . . . . 25.0 110.622 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -64.64 -42.32 95.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.029 0.442 . . . . 25.0 110.52 178.324 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.2 -41.37 98.3 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.657 0.742 . . . . 25.0 109.565 177.539 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -67.63 -42.85 81.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.493 -179.646 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.23 -25.83 64.5 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.114 -0.991 . . . . 25.0 110.861 -178.587 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -59.6 -37.24 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -42.86 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.213 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -61.4 -38.97 89.01 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.165 -0.335 . . . . 25.0 111.324 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -30.19 71.21 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.63 0.604 . . . . 25.0 112.63 -178.251 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.49 -37.1 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mm . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 121.363 0.602 . . . . 25.0 109.913 178.947 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.6 pt . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 120.546 0.213 . . . . 25.0 111.38 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.44 -36.31 73.89 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 177.574 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 t -65.78 -36.43 83.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 178.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -65.78 -40.97 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.963 -0.295 . . . . 25.0 110.76 176.822 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.45 -43.22 91.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 122.012 0.911 . . . . 25.0 109.176 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -62.76 -42.0 99.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.203 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -67.1 -35.28 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.324 -0.86 . . . . 25.0 110.067 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.26 -38.25 86.04 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 111.524 0.194 . . . . 25.0 111.524 177.37 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.1 -33.34 44.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.249 -0.58 . . . . 25.0 111.826 176.623 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.74 -30.55 70.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.745 0.307 . . . . 25.0 110.861 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -55.75 -35.36 66.1 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.084 0.401 . . . . 25.0 112.084 176.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.38 -40.09 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.149 0.5 . . . . 25.0 110.181 -178.074 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.393 0.615 . . . . 25.0 110.036 179.825 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 121.176 0.512 . . . . 25.0 111.995 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.45 -29.43 70.51 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.198 176.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.2 p -64.03 -33.45 75.76 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.654 -0.419 . . . . 25.0 111.855 178.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -70.86 -39.47 72.9 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 179.155 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.44 -43.26 94.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.632 0.73 . . . . 25.0 109.234 176.428 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.95 -46.66 86.71 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.282 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -69.14 -25.58 64.46 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.037 -0.665 . . . . 25.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -68.78 -37.35 79.25 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.373 -0.931 . . . . 25.0 110.738 173.505 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -38.88 85.51 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 176.481 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.43 -35.64 79.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.123 -0.361 . . . . 25.0 110.848 178.077 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.83 -32.93 74.6 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.1 -37.11 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 177.645 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 179.226 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 pt . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 110.064 -0.347 . . . . 25.0 110.064 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.01 -43.69 82.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -31.81 72.98 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.541 178.514 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -69.44 -43.87 72.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.966 0.889 . . . . 25.0 110.691 177.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.9 -45.8 92.15 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 178.754 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -60.08 -46.98 87.76 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.549 0.69 . . . . 25.0 111.519 178.597 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.5 -32.76 73.8 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 119.899 -1.751 . . . . 25.0 110.908 -176.211 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.6 -45.32 92.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.886 0.767 . . . . 25.0 112.181 177.198 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.22 -26.18 64.68 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.212 -0.93 . . . . 25.0 110.056 179.385 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.07 -31.8 70.81 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.165 -0.334 . . . . 25.0 111.068 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -57.85 -41.87 83.26 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.999 -0.438 . . . . 25.0 111.441 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mt -63.53 -38.57 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.619 -173.111 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.241 0.633 0 CA-C-O 121.284 0.564 . . . . 25.0 111.617 179.679 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.788 0 CA-C-O 123.685 1.714 . . . . 25.0 115.05 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.88 -34.78 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 120.353 -1.675 . . . . 25.0 110.138 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.92 -31.99 71.5 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.127 -0.488 . . . . 25.0 109.942 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.7 t -64.73 -32.39 74.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.22 -0.3 . . . . 25.0 110.658 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -68.62 -35.47 77.35 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.411 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.98 -38.77 72.75 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.9 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -70.46 -21.72 62.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 119.12 -1.032 . . . . 25.0 110.653 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -39.44 79.01 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 118.838 0.745 . . . . 25.0 112.515 172.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.16 -30.53 63.64 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.021 -1.049 . . . . 25.0 108.779 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -66.87 -29.42 69.32 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.264 -0.897 . . . . 25.0 109.303 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -62.17 -33.29 74.25 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.287 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -71.63 -35.32 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 123.959 0.787 . . . . 25.0 109.344 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.48 -38.31 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.0 43.01 0.83 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 tttt 60.72 106.77 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 124.688 2.185 . . . . 25.0 116.104 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.431 4.12 0 CA-C-N 112.867 -1.969 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.053 0 CA-C-O 122.8 1.222 . . . . 25.0 115.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.76 -37.12 64.26 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 O-C-N 120.376 -1.661 . . . . 25.0 111.883 -175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.07 -29.48 70.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 t -62.84 -29.67 70.91 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.691 -0.631 . . . . 25.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -67.51 -47.42 70.02 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.18 -42.96 99.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 25.0 110.079 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -62.81 -48.52 78.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.516 0.674 . . . . 25.0 111.198 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.66 -21.55 62.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 120.926 -1.109 . . . . 25.0 112.201 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.3 -37.73 83.86 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.927 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -39.13 82.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.6 -35.44 74.32 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.951 -0.468 . . . . 25.0 110.94 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -58.5 -34.66 71.17 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.8 -31.28 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 123.444 0.465 . . . . 25.0 111.242 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.4 mm -62.45 -34.79 66.51 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-O 121.251 0.548 . . . . 25.0 110.586 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.8 47.51 0.98 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.934 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -160.62 55.75 0.32 Allowed 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 123.722 1.725 . . . . 25.0 113.12 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.401 2.814 0 CA-C-N 114.093 -1.412 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 CA-C-O 124.039 1.91 . . . . 25.0 114.794 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.09 -39.91 83.93 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 O-C-N 120.618 -1.519 . . . . 25.0 109.374 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.38 -41.31 93.51 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.883 0.373 . . . . 25.0 110.971 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.5 t -65.63 -33.4 75.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.433 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -65.8 -42.84 90.19 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.974 -0.454 . . . . 25.0 109.898 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.97 -42.59 99.87 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.352 0.596 . . . . 25.0 109.965 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.3 -48.08 79.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.545 0.688 . . . . 25.0 111.805 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -67.52 -26.08 66.15 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.466 -1.396 . . . . 25.0 111.291 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -69.27 -29.29 67.16 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.505 0.593 . . . . 25.0 110.166 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -72.08 -22.4 61.36 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.446 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.2 -34.93 75.88 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.342 0.519 . . . . 25.0 109.997 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -74.2 -40.59 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm -65.48 -37.99 81.38 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 CA-C-O 121.006 0.431 . . . . 25.0 111.448 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.18 90.36 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.722 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.253 7.9 tmtt? 69.1 73.33 0.26 Allowed 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 124.657 2.17 . . . . 25.0 113.05 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.425 3.88 0 CA-C-N 112.883 -1.962 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.051 0 CA-C-O 126.013 3.007 . . . . 25.0 113.131 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.39 -39.01 81.32 Favored 'Isoleucine or valine' 0 C--O 1.26 1.652 0 O-C-N 120.694 -1.474 . . . . 25.0 108.775 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.26 -43.01 96.51 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.465 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -36.35 72.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.463 -0.79 . . . . 25.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -67.33 -40.36 85.9 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.558 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.57 -35.87 65.51 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -63.84 -49.47 72.66 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -66.09 -30.99 71.6 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 119.66 -1.9 . . . . 25.0 108.87 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -58.25 -32.14 68.07 Favored 'General case' 0 C--O 1.171 -3.071 0 O-C-N 124.895 1.372 . . . . 25.0 110.007 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -42.83 83.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 122.391 1.091 . . . . 25.0 111.747 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -66.68 -33.41 75.57 Favored 'General case' 0 C--O 1.203 -1.355 0 O-C-N 120.481 -1.387 . . . . 25.0 111.239 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -33.67 71.56 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 108.442 -0.947 . . . . 25.0 108.442 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.18 -36.53 62.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.374 0 CA-C-O 122.695 1.236 . . . . 25.0 110.73 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.88 -37.23 67.49 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.36 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.09 93.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.43 -65.86 0.07 Allowed 'General case' 0 C--O 1.179 -2.614 0 C-N-CA 126.906 2.083 . . . . 25.0 115.19 -174.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.446 4.766 0 O-C-N 120.483 -1.385 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.598 0 CA-C-O 124.754 2.308 . . . . 25.0 112.798 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.82 -37.57 78.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 112.886 -1.657 . . . . 25.0 109.359 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.91 -36.88 85.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.284 -0.416 . . . . 25.0 110.76 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -64.05 -38.07 89.73 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.875 -0.516 . . . . 25.0 109.964 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.103 -0.373 . . . . 25.0 110.848 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.61 -42.35 87.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.083 0.468 . . . . 25.0 110.303 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -64.92 -48.62 73.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 25.0 111.074 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.59 -26.18 65.25 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.249 -0.907 . . . . 25.0 111.292 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.05 -37.37 87.17 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 110.126 -0.324 . . . . 25.0 110.126 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.21 84.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.01 -21.3 65.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -60.39 -35.55 76.01 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.734 -0.604 . . . . 25.0 110.692 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mt -70.79 -31.32 45.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-O 121.221 0.534 . . . . 25.0 109.592 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.36 -31.51 53.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.26 -40.24 37.7 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.612 -0.267 . . . . 25.0 111.328 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -171.11 128.65 0.72 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 126.462 1.905 . . . . 25.0 111.471 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.405 2.995 0 CA-C-N 115.025 -0.989 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 CA-C-O 123.386 1.548 . . . . 25.0 113.702 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.9 mm -62.54 -38.46 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 119.917 -1.931 . . . . 25.0 109.727 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.56 -42.09 95.88 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.231 -0.895 . . . . 25.0 110.851 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.2 p -65.84 -29.3 69.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.868 -0.52 . . . . 25.0 109.761 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 t -64.4 -49.99 69.38 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.349 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.68 -45.17 95.15 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -60.83 -45.79 93.1 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-N 115.639 -0.71 . . . . 25.0 112.075 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -70.65 -29.9 66.37 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 121.249 -0.907 . . . . 25.0 109.823 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.42 -42.11 96.22 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 119.203 -0.999 . . . . 25.0 110.409 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.52 -28.36 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 119.9 -0.72 . . . . 25.0 110.505 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -66.66 -36.52 82.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 122.091 -0.38 . . . . 25.0 110.505 173.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.33 -30.32 71.48 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mm -72.29 -39.29 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.55 -34.64 71.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 O-C-N 124.109 0.88 . . . . 25.0 110.556 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.67 47.75 1.25 Allowed 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.4 1.095 . . . . 25.0 111.878 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -153.08 -31.63 0.13 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 125.064 1.346 . . . . 25.0 113.703 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.068 0 O-C-N 121.218 -0.926 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 CA-C-O 122.826 1.236 . . . . 25.0 114.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.03 -39.06 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 O-C-N 121.529 -0.983 . . . . 25.0 108.651 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.88 -42.25 98.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.984 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.8 t -65.97 -39.6 90.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 25.0 110.487 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -64.99 -40.7 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.326 . . . . 25.0 110.606 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.81 -38.46 86.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 25.0 110.38 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -64.05 -47.17 81.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.382 0.61 . . . . 25.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -69.49 -26.73 64.7 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.126 -0.984 . . . . 25.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -63.56 -37.78 88.63 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.013 -0.429 . . . . 25.0 110.053 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -38.54 87.45 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -67.36 -33.11 74.54 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.212 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.4 -30.58 68.55 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -61.45 -35.36 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.383 0.611 . . . . 25.0 109.627 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -79.11 -41.23 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.36 70.16 9.07 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.682 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 69.74 73.37 0.23 Allowed 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 126.848 2.059 . . . . 25.0 113.609 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.457 0 CA-C-N 113.767 -1.561 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.184 0 CA-C-O 125.424 2.68 . . . . 25.0 115.4 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 pt -66.06 -23.47 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 116.665 -3.844 . . . . 25.0 108.899 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.3 tp -78.05 -36.94 47.82 Favored 'General case' 0 C--O 1.192 -1.932 0 CA-C-O 122.527 1.156 . . . . 25.0 111.661 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.4 t -65.24 -39.19 92.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 120.342 -1.474 . . . . 25.0 109.723 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -59.99 -51.92 67.59 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.19 -42.7 81.7 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.629 0.772 . . . . 25.0 110.84 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -65.71 -44.7 85.29 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 123.442 1.592 . . . . 25.0 111.503 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -70.81 -25.2 62.75 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 119.862 -1.774 . . . . 25.0 109.571 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -69.18 -32.88 72.49 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.509 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -33.21 71.18 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 104.741 -2.318 . . . . 25.0 104.741 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -67.91 -25.96 65.75 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -63.61 -32.4 73.85 Favored 'General case' 0 C--O 1.201 -1.495 0 CA-C-O 118.845 -0.598 . . . . 25.0 110.137 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -79.17 -28.39 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 122.708 1.242 . . . . 25.0 110.368 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.15 -39.93 85.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-O 122.452 1.12 . . . . 25.0 109.028 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -56.9 7.6 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 114.452 -1.249 . . . . 25.0 110.523 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -127.89 126.14 40.98 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 116.217 1.932 . . . . 25.0 116.217 -172.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.42 3.67 0 CA-C-N 115.164 -0.926 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.703 0 CA-C-O 122.351 0.973 . . . . 25.0 113.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -67.11 -28.71 43.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 O-C-N 120.212 -1.757 . . . . 25.0 112.119 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -36.13 77.9 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.575 -1.328 . . . . 25.0 108.96 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -63.41 -38.62 91.84 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.546 -0.721 . . . . 25.0 109.432 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -61.61 -46.37 90.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.339 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.3 -42.27 93.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.978 -1.01 . . . . 25.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -61.77 -42.46 99.02 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -75.2 -23.73 57.7 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 118.851 -1.14 . . . . 25.0 111.636 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.2 -41.42 81.4 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.828 -0.545 . . . . 25.0 109.98 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.75 -31.69 61.86 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 119.462 -0.895 . . . . 25.0 111.767 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -65.05 -33.84 77.0 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.016 -0.538 . . . . 25.0 109.843 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.24 -30.84 71.76 Favored 'General case' 0 C--O 1.192 -1.95 0 C-N-CA 122.795 0.438 . . . . 25.0 111.435 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.44 -37.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.7 mt -75.53 -38.2 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 114.766 -1.106 . . . . 25.0 110.049 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.63 51.17 1.0 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 113.737 1.014 . . . . 25.0 113.737 -173.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 63.73 97.25 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.54 0 CA-C-O 125.191 2.424 . . . . 25.0 116.572 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.425 3.882 0 O-C-N 120.316 -1.49 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 CA-C-O 125.882 2.935 . . . . 25.0 112.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.3 pt -67.42 -28.88 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.197 0 O-C-N 120.172 -1.781 . . . . 25.0 112.52 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -72.14 -35.71 69.16 Favored 'General case' 0 C--O 1.247 0.924 0 O-C-N 121.074 -1.016 . . . . 25.0 110.039 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -66.64 -34.06 77.04 Favored 'General case' 0 C--O 1.252 1.211 0 C-N-CA 119.747 -0.781 . . . . 25.0 111.11 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.855 0.462 . . . . 25.0 110.758 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.15 -37.74 61.22 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.14 0.971 . . . . 25.0 109.902 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.14 -43.04 96.45 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.023 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.22 -30.7 68.92 Favored 'General case' 0 N--CA 1.434 -1.256 0 O-C-N 121.693 -0.629 . . . . 25.0 112.109 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -64.25 -45.3 88.75 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.457 1.098 . . . . 25.0 110.867 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.97 -24.04 55.37 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 118.498 -0.763 . . . . 25.0 109.043 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -66.87 -34.74 78.45 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 119.936 1.244 . . . . 25.0 110.844 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -34.54 71.97 Favored 'General case' 0 C--O 1.195 -1.81 0 CA-C-O 118.341 -0.837 . . . . 25.0 109.458 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.75 -32.89 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 118.555 -0.736 . . . . 25.0 109.755 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.1 mt -83.02 -41.01 16.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 123.133 1.444 . . . . 25.0 109.546 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.71 79.96 7.26 Favored 'General case' 0 CA--C 1.59 2.499 0 CA-C-N 113.102 -1.863 . . . . 25.0 112.298 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 84.56 65.47 0.01 OUTLIER 'General case' 0 N--CA 1.539 3.992 0 C-N-CA 127.259 2.223 . . . . 25.0 106.729 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.415 3.455 0 CA-C-N 112.157 -2.292 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 CA-C-O 123.854 1.808 . . . . 25.0 116.131 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.63 -30.95 49.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 O-C-N 120.739 -1.448 . . . . 25.0 110.921 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.14 -41.56 66.99 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -59.56 -32.27 70.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.126 0.965 . . . . 25.0 112.059 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -69.99 -38.22 75.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.36 -39.8 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.541 0.686 . . . . 25.0 109.322 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -64.29 -41.65 96.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.426 0.631 . . . . 25.0 110.773 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.1 -22.85 62.04 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 120.719 -1.238 . . . . 25.0 111.314 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -68.81 -46.58 68.25 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.15 -29.12 67.93 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 120.182 -0.607 . . . . 25.0 111.413 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -64.42 -36.17 83.29 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.589 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -62.21 -31.89 72.48 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.05 -34.38 66.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.288 0.566 . . . . 25.0 109.858 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -83.78 -41.38 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.544 0.688 . . . . 25.0 109.824 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.44 70.53 3.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.772 -0.649 . . . . 25.0 111.441 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 tttp 80.11 92.21 0.05 Allowed 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 128.157 2.583 . . . . 25.0 113.371 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.411 3.268 0 CA-C-N 113.417 -1.719 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.538 0 CA-C-O 123.283 1.49 . . . . 25.0 115.032 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 pt -65.75 -27.74 42.19 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 O-C-N 120.534 -1.568 . . . . 25.0 114.27 -171.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 tt -67.24 -41.8 85.04 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.737 -1.227 . . . . 25.0 108.24 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 t -67.11 -41.05 86.87 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-N 115.313 -0.858 . . . . 25.0 109.44 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -62.85 -44.63 95.63 Favored 'General case' 0 C--O 1.207 -1.178 0 O-C-N 123.646 0.591 . . . . 25.0 110.129 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.33 -38.71 92.0 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.867 0.842 . . . . 25.0 110.695 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -64.23 -44.51 91.61 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -74.57 -21.11 59.67 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.412 -1.43 . . . . 25.0 114.096 176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -60.91 -37.52 82.51 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -41.37 60.61 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.905 -0.405 . . . . 25.0 109.905 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -58.95 -27.42 65.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.432 1.093 . . . . 25.0 112.521 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -62.41 -37.88 87.53 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.65 -35.53 61.44 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 CA-C-O 121.51 0.671 . . . . 25.0 110.031 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.5 mm -66.81 -25.94 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.686 0.794 . . . . 25.0 110.773 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 73.69 9.18 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 120.964 -1.085 . . . . 25.0 109.995 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.293 41.3 tttm 88.05 90.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 127.309 2.881 . . . . 25.0 111.133 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.388 2.259 0 CA-C-N 114.371 -1.286 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.532 5.034 0 N-CA-C 116.592 1.397 . . . . 25.0 116.592 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -61.43 -28.12 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 114.208 -0.996 . . . . 25.0 110.764 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tt -73.49 -41.31 63.28 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.65 -2.722 . . . . 25.0 103.65 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -69.32 -28.86 66.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.66 0.663 . . . . 25.0 112.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -65.72 -44.96 84.48 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.83 -40.1 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 123.034 1.397 . . . . 25.0 110.543 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -58.2 -42.2 85.63 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 113.069 -1.878 . . . . 25.0 111.715 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -71.88 -28.17 63.34 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.21 -35.77 81.88 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.21 -0.931 . . . . 25.0 109.283 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.83 74.35 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.098 -1.626 . . . . 25.0 108.481 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -61.76 -28.22 69.29 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -54.73 -40.88 69.71 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mt -70.51 -35.51 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 122.347 1.07 . . . . 25.0 108.944 -172.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.2 mm -83.8 -1.27 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 C-N-CA 124.519 1.128 . . . . 25.0 113.587 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.51 60.94 1.68 Allowed 'General case' 0 C--O 1.25 1.079 0 O-C-N 120.827 -1.171 . . . . 25.0 110.016 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.313 46.6 mttp 70.34 85.57 0.13 Allowed 'General case' 0 N--CA 1.527 3.415 0 O-C-N 126.788 2.555 . . . . 25.0 112.135 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.443 4.646 0 CA-C-N 113.378 -1.737 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.739 0 CA-C-O 123.395 1.553 . . . . 25.0 114.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.1 -41.85 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 107.028 -1.471 . . . . 25.0 107.028 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.84 -41.74 99.46 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.22 -0.9 . . . . 25.0 110.513 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -64.79 -38.96 92.73 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.991 -0.443 . . . . 25.0 111.012 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -63.76 -49.64 72.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -41.94 87.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.297 0.57 . . . . 25.0 111.056 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -61.63 -45.85 92.31 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.474 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -70.71 -21.57 62.54 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.167 -0.958 . . . . 25.0 112.929 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.7 -45.67 91.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.895 0.771 . . . . 25.0 109.645 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -33.77 76.57 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.453 0.644 . . . . 25.0 110.011 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -66.36 -30.37 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.709 -0.619 . . . . 25.0 111.68 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.23 -34.53 77.85 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 119.477 -0.297 . . . . 25.0 111.349 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -63.71 -34.26 66.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.701 0.762 . . . . 25.0 110.05 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mm -74.66 -31.92 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 121.623 0.725 . . . . 25.0 109.686 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.58 -34.02 41.18 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 114.41 1.263 . . . . 25.0 114.41 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -153.22 -61.0 0.14 Allowed 'General case' 0 N--CA 1.506 2.361 0 CA-C-O 122.49 1.138 . . . . 25.0 113.28 -174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.41 3.205 0 O-C-N 121.283 -0.885 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 2.743 0 N-CA-C 120.445 2.938 . . . . 25.0 120.445 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.25 -44.42 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 112.586 -1.807 . . . . 25.0 109.127 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.54 -45.54 79.1 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 121.638 -0.664 . . . . 25.0 112.013 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 -47.99 57.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.83 -42.43 75.75 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 114.999 -1.001 . . . . 25.0 110.569 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.406 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.1 t90 -63.5 -40.96 98.44 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-O 121.887 0.851 . . . . 25.0 112.028 -176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -72.05 -30.03 64.76 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 120.251 -1.531 . . . . 25.0 109.441 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -60.67 -45.35 94.46 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 121.474 -0.766 . . . . 25.0 110.793 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 7' ' ' TRP . 4.5 pp -71.91 -27.7 63.0 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 121.112 0.482 . . . . 25.0 110.07 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -70.11 -41.5 73.9 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -57.85 -30.83 66.1 Favored 'General case' 0 C--O 1.2 -1.533 0 CA-C-N 115.636 -0.711 . . . . 25.0 112.543 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.5 -41.68 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm -75.36 -37.99 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 109.4 -0.592 . . . . 25.0 109.4 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.98 50.08 1.09 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 118.629 -0.7 . . . . 25.0 111.282 -174.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? 68.53 93.05 0.08 Allowed 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 125.384 2.516 . . . . 25.0 113.76 173.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.492 0 CA-C-N 113.164 -1.835 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.675 0 CA-C-O 123.886 1.826 . . . . 25.0 114.82 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.0 -45.66 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 121.062 -1.258 . . . . 25.0 110.527 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.79 -41.49 97.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.056 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -34.56 78.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 25.0 111.56 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -70.53 -38.1 74.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 25.0 109.753 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -40.62 90.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.292 0.567 . . . . 25.0 109.556 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -63.49 -49.0 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.961 -0.462 . . . . 25.0 111.158 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -68.63 -21.64 64.46 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.3 -0.875 . . . . 25.0 112.369 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -61.35 -38.21 86.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.578 -0.156 . . . . 25.0 110.578 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -37.04 78.42 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.219 -0.592 . . . . 25.0 110.276 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -64.72 -29.32 70.3 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -56.54 -39.69 73.84 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.658 0.266 . . . . 25.0 110.627 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -67.01 -38.77 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.256 0.551 . . . . 25.0 110.261 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.8 mm -69.6 -38.67 77.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.664 -0.698 . . . . 25.0 110.247 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.29 82.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.6 mttm 81.09 84.62 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 127.872 2.469 . . . . 25.0 110.01 -178.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.412 3.289 0 CA-C-N 113.317 -1.765 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.821 0 CA-C-O 124.853 2.363 . . . . 25.0 113.552 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.68 -45.22 99.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 113.159 -1.521 . . . . 25.0 109.85 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.16 -32.82 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 25.0 111.537 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.86 87.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 25.0 111.296 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -75.06 -25.56 58.72 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.004 -0.678 . . . . 25.0 112.809 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.15 -41.84 85.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.231 -1.026 . . . . 25.0 108.231 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -66.65 -41.29 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.157 -0.929 . . . . 25.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -71.35 -27.96 63.72 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.926 -1.109 . . . . 25.0 110.511 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.94 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.95 -31.24 68.87 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.474 -0.49 . . . . 25.0 111.227 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -69.29 -32.16 71.14 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.733 -0.604 . . . . 25.0 111.067 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.15 -30.35 71.27 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 122.172 -0.33 . . . . 25.0 111.239 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.14 -37.79 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mm -79.02 -37.58 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.267 0.556 . . . . 25.0 111.155 178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.88 -24.04 59.67 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -175.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 85.87 107.91 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 128.995 2.918 . . . . 25.0 112.386 -175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.42 3.655 0 CA-C-N 113.952 -1.476 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 CA-C-O 123.834 1.797 . . . . 25.0 116.048 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 pt -64.98 -25.18 37.1 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.001 0 O-C-N 120.858 -1.377 . . . . 25.0 111.491 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.73 -34.7 72.17 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.33 -0.856 . . . . 25.0 109.139 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -64.86 -32.82 74.7 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 123.56 0.538 . . . . 25.0 111.321 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -68.95 -39.86 79.27 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.314 0.578 . . . . 25.0 109.758 177.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.2 mt -66.74 -44.35 81.73 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 119.075 -0.488 . . . . 25.0 109.782 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -57.7 -50.77 72.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.31 0.381 . . . . 25.0 111.639 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -63.87 -23.02 67.19 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.363 -0.836 . . . . 25.0 112.466 -174.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -67.99 -29.35 68.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 119.123 0.874 . . . . 25.0 110.345 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -38.89 79.39 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -68.51 -29.73 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.595 0.712 . . . . 25.0 110.545 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -59.89 -30.45 69.03 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.494 -0.754 . . . . 25.0 112.849 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.91 -37.04 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-O 121.634 0.73 . . . . 25.0 109.609 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.8 mm -77.32 -37.21 25.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.299 -0.864 . . . . 25.0 110.422 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.14 72.32 10.42 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -133.14 -63.5 0.76 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.131 1.372 . . . . 25.0 113.186 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.424 3.838 0 O-C-N 121.749 -0.594 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.677 0 CA-C-O 123.915 1.842 . . . . 25.0 115.384 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.3 pt -64.99 -19.67 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 120.363 -1.669 . . . . 25.0 112.482 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.17 -35.23 79.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -65.44 -33.99 77.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 25.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -71.93 -38.99 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.253 0.549 . . . . 25.0 109.943 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.11 -42.02 97.02 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.496 0.665 . . . . 25.0 109.652 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -64.62 -49.05 72.59 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 114.983 -1.008 . . . . 25.0 110.984 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.91 -22.53 65.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.956 -1.09 . . . . 25.0 111.896 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -60.94 -46.41 90.8 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 121.864 -0.522 . . . . 25.0 110.232 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.89 -38.59 83.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.39 . . . . 25.0 110.292 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -63.78 -31.85 73.16 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.561 -0.712 . . . . 25.0 111.397 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -66.36 -33.62 76.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.03 -37.3 72.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm -67.52 -32.6 57.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.035 -0.529 . . . . 25.0 111.352 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.01 99.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 115.627 1.714 . . . . 25.0 115.627 -173.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 174.17 -34.45 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.09 0 C-N-CA 126.636 1.975 . . . . 25.0 114.577 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.425 3.888 0 CA-C-N 115.776 -0.647 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.829 0 CA-C-O 127.601 3.889 . . . . 25.0 112.22 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.09 -47.95 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 112.117 -2.041 . . . . 25.0 108.603 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -43.06 96.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.075 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -35.03 78.96 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 123.933 0.893 . . . . 25.0 111.971 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -70.21 -40.61 74.46 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.82 -0.752 . . . . 25.0 110.715 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.09 -35.6 80.94 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.486 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.74 -46.85 86.14 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.678 0.752 . . . . 25.0 111.329 178.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -69.64 -33.3 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.893 -1.13 . . . . 25.0 108.583 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -63.79 -35.9 82.12 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 119.396 -0.335 . . . . 25.0 111.201 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -39.99 87.79 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.621 0.724 . . . . 25.0 109.355 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -65.23 -34.48 78.46 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.538 -0.726 . . . . 25.0 111.037 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.64 -40.76 97.69 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.481 -0.327 . . . . 25.0 110.715 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.24 -37.03 78.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-O 121.392 0.615 . . . . 25.0 110.568 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mm -73.27 -34.53 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-O 121.478 0.656 . . . . 25.0 110.698 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.22 -53.01 8.87 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.33 -67.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.318 1.847 . . . . 25.0 112.833 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.189 0 O-C-N 120.21 -1.557 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.951 0 CA-C-O 125.092 2.496 . . . . 25.0 111.083 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.08 -39.32 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 CA-C-N 112.094 -2.053 . . . . 25.0 106.909 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -39.73 78.06 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 121.458 0.647 . . . . 25.0 112.238 173.477 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.6 t -63.05 -36.39 83.42 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -176.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -72.22 -40.29 67.92 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-O 116.644 -1.645 . . . . 25.0 113.432 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.99 -34.65 78.01 Favored 'General case' 0 C--O 1.258 1.502 0 CA-C-N 120.912 1.687 . . . . 25.0 113.02 174.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -63.53 -48.94 75.48 Favored 'General case' 0 C--O 1.268 2.032 0 CA-C-N 114.23 -1.35 . . . . 25.0 110.897 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -72.86 -27.18 61.77 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 113.793 1.034 . . . . 25.0 113.793 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -65.28 -42.93 92.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.98 -20.63 59.58 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -67.48 -31.1 71.01 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.75 -33.35 71.55 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 114.095 1.146 . . . . 25.0 114.095 174.356 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.65 -30.67 29.84 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt -76.84 -42.66 33.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 O-C-N 120.416 -1.428 . . . . 25.0 112.786 178.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.42 53.54 1.7 Allowed 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.364 1.04 . . . . 25.0 111.677 -176.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt 77.02 100.8 0.07 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 127.241 2.216 . . . . 25.0 112.598 178.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.388 2.244 0 CA-C-N 115.628 -0.715 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.753 0 CA-C-O 124.667 2.259 . . . . 25.0 111.321 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.2 pt -64.68 -33.99 66.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 CA-C-N 112.932 -1.634 . . . . 25.0 113.077 177.586 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.96 -36.04 69.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 O-C-N 119.939 -1.726 . . . . 25.0 108.978 172.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -67.94 -31.27 70.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.855 -1.153 . . . . 25.0 109.142 -175.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -70.75 -44.56 66.5 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.412 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.07 -36.17 80.85 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 121.634 0.73 . . . . 25.0 111.268 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -69.21 -46.14 68.13 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.263 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -68.82 -25.09 64.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.662 -1.274 . . . . 25.0 110.805 178.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -63.21 -42.22 99.26 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.414 -0.914 . . . . 25.0 109.009 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.11 -37.68 81.43 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.76 0.791 . . . . 25.0 110.94 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.56 -33.9 77.0 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -33.54 76.24 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-O 118.468 -0.777 . . . . 25.0 112.535 177.404 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -56.12 -38.14 52.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 113.82 1.045 . . . . 25.0 113.82 174.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.1 mm -83.42 -32.34 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-O 122.29 1.043 . . . . 25.0 111.272 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.82 95.37 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-N 113.845 -1.525 . . . . 25.0 111.402 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -151.43 -80.15 0.11 Allowed 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 126.466 1.906 . . . . 25.0 110.474 -170.527 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.514 0 O-C-N 121.803 -0.561 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.871 0 CA-C-O 125.405 2.669 . . . . 25.0 116.117 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.0 mt -62.96 -44.3 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 120.694 -1.474 . . . . 25.0 111.041 -172.374 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.83 -22.03 60.87 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.265 -0.897 . . . . 25.0 111.872 178.091 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -67.75 -30.08 69.47 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.21 -0.931 . . . . 25.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -69.41 -39.55 77.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.326 1.06 . . . . 25.0 109.02 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.62 -40.62 80.3 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 115.233 -0.894 . . . . 25.0 108.888 179.012 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -60.58 -48.44 81.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.482 -178.696 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -30.05 68.34 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.937 -1.102 . . . . 25.0 111.013 178.611 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.32 -46.47 83.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.86 0.3 . . . . 25.0 110.923 178.399 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.32 -28.88 64.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 118.502 0.592 . . . . 25.0 110.815 -178.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -66.81 -35.16 79.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.634 179.277 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -64.21 -32.71 74.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.535 0.568 . . . . 25.0 112.535 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mm -69.81 -38.88 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 -175.369 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.02 -34.79 73.01 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 O-C-N 124.038 0.837 . . . . 25.0 109.515 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.79 -47.11 55.71 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -177.249 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -167.74 -52.48 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 115.191 1.552 . . . . 25.0 115.191 -170.808 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.445 4.721 0 CA-C-N 114.802 -1.09 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.06 0 CA-C-O 124.48 2.155 . . . . 25.0 116.442 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.5 mt -74.85 -41.75 46.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 113.728 -1.236 . . . . 25.0 111.415 -174.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.72 -31.42 69.6 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.491 -0.756 . . . . 25.0 110.929 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -59.16 -34.17 71.77 Favored 'General case' 0 C--O 1.246 0.896 0 O-C-N 124.265 0.978 . . . . 25.0 113.468 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -61.14 -51.45 69.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 123.822 0.702 . . . . 25.0 109.355 178.53 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.7 -41.19 98.16 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -177.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -61.48 -47.49 85.43 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.204 -0.907 . . . . 25.0 110.864 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -66.24 -25.99 67.15 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.073 -1.017 . . . . 25.0 112.592 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -62.59 -43.81 97.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 119.095 -0.479 . . . . 25.0 110.199 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -30.71 65.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 119.668 -0.813 . . . . 25.0 110.212 177.215 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -64.07 -26.29 68.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 119.017 -0.516 . . . . 25.0 112.367 176.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.566 ' HZ3' ' N ' ' A' ' 101' ' ' NH2 . 4.8 tmtt? -62.97 -37.34 86.72 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 117.833 0.288 . . . . 25.0 110.26 175.109 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -64.36 -35.59 74.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.645 0 CA-C-O 121.698 0.761 . . . . 25.0 110.307 -177.103 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt -74.94 -32.58 27.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.979 178.809 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.58 -47.32 41.45 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -172.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -174.84 35.2 0.01 OUTLIER 'General case' 0 N--CA 1.532 3.629 0 C-N-CA 126.768 2.027 . . . . 25.0 112.501 -175.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . 0.566 ' N ' ' HZ3' ' A' ' 12' ' ' LYS . . . . . . . . 0 C--N 1.423 3.804 0 O-C-N 120.586 -1.321 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.982 0 CA-C-O 123.376 1.542 . . . . 25.0 116.057 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.09 -35.02 62.61 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-O 122.113 0.958 . . . . 25.0 110.791 178.595 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.9 -40.15 95.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.207 -0.906 . . . . 25.0 109.911 178.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -65.67 -30.92 71.68 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -68.36 -42.45 79.16 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.19 -42.54 99.37 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.439 0.637 . . . . 25.0 109.911 178.096 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -60.19 -49.63 76.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.155 -178.745 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -73.39 -27.63 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.712 -1.242 . . . . 25.0 112.126 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -57.09 -49.14 76.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 120.917 -0.313 . . . . 25.0 110.703 173.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.98 -26.82 63.31 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.783 -0.573 . . . . 25.0 111.405 -178.363 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -70.28 -21.52 62.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 178.43 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.75 -31.15 66.2 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 120.883 0.373 . . . . 25.0 111.851 176.214 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.64 -28.7 42.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 CA-C-O 121.401 0.62 . . . . 25.0 109.929 -178.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 mm -89.29 -32.36 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.126 0.488 . . . . 25.0 110.588 178.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.31 80.0 9.22 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 -176.08 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 75.98 79.98 0.1 Allowed 'General case' 0 N--CA 1.503 2.208 0 CA-C-O 125.129 2.395 . . . . 25.0 112.034 176.422 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.598 0 CA-C-N 112.754 -2.021 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.278 0 CA-C-O 123.315 1.508 . . . . 25.0 113.599 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.6 mm -62.59 -38.79 82.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 O-C-N 120.661 -1.493 . . . . 25.0 114.483 -176.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.04 -33.07 74.92 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 120.948 -1.095 . . . . 25.0 109.92 176.377 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -31.04 69.66 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.823 0.344 . . . . 25.0 110.55 -176.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -63.14 -52.95 60.45 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.605 0.717 . . . . 25.0 110.871 175.435 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.85 -45.37 78.46 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.05 0.94 . . . . 25.0 112.16 175.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.78 -48.06 83.2 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 114.097 -1.41 . . . . 25.0 112.407 178.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -69.69 -21.14 63.53 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 120.198 -1.564 . . . . 25.0 113.472 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -36.74 82.61 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -30.92 40.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.769 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.42 -23.45 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.203 -0.936 . . . . 25.0 110.175 177.566 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.59 -37.78 82.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.489 0.493 . . . . 25.0 112.323 174.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.07 -36.68 77.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-O 121.591 0.71 . . . . 25.0 109.856 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.8 mm -76.33 -41.45 36.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.14 62.59 6.7 Favored 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 123.271 0.628 . . . . 25.0 112.231 -177.273 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 68.09 0.91 Allowed 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 125.627 2.632 . . . . 25.0 112.075 177.633 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.427 3.941 0 CA-C-N 113.812 -1.54 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.724 0 CA-C-O 124.818 2.343 . . . . 25.0 113.02 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.5 pt -63.54 -17.61 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 112.823 -1.688 . . . . 25.0 112.595 -178.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.62 -34.84 76.35 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 176.371 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -36.33 82.89 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.634 -0.257 . . . . 25.0 110.622 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -64.64 -42.32 95.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.029 0.442 . . . . 25.0 110.52 178.324 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.2 -41.37 98.3 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.657 0.742 . . . . 25.0 109.565 177.539 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -67.63 -42.85 81.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.493 -179.646 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.23 -25.83 64.5 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.114 -0.991 . . . . 25.0 110.861 -178.587 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -59.6 -37.24 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -42.86 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.213 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -61.4 -38.97 89.01 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.165 -0.335 . . . . 25.0 111.324 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -30.19 71.21 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.63 0.604 . . . . 25.0 112.63 -178.251 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.49 -37.1 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.17 -41.38 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.363 0.602 . . . . 25.0 109.913 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.31 73.83 1.37 Allowed 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 177.543 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -114.12 -43.85 3.19 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.68 1.992 . . . . 25.0 112.778 -175.649 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.408 3.147 0 CA-C-N 115.818 -0.628 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.702 0 CA-C-O 124.74 2.3 . . . . 25.0 113.136 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.6 pt -63.24 -29.79 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 112.801 -1.7 . . . . 25.0 111.38 -179.006 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.44 -36.31 73.89 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 177.574 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 t -65.78 -36.43 83.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 178.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -65.78 -40.97 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.963 -0.295 . . . . 25.0 110.76 176.822 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.45 -43.22 91.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 122.012 0.911 . . . . 25.0 109.176 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -62.76 -42.0 99.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.203 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -67.1 -35.28 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.324 -0.86 . . . . 25.0 110.067 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.26 -38.25 86.04 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 111.524 0.194 . . . . 25.0 111.524 177.37 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.1 -33.34 44.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.249 -0.58 . . . . 25.0 111.826 176.623 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.74 -30.55 70.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.745 0.307 . . . . 25.0 110.861 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -55.75 -35.36 66.1 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.084 0.401 . . . . 25.0 112.084 176.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.38 -40.09 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.149 0.5 . . . . 25.0 110.181 -178.074 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -76.64 -32.89 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.393 0.615 . . . . 25.0 110.036 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.72 -49.83 64.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.502 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -177.56 124.17 0.13 Allowed 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 126.386 1.875 . . . . 25.0 110.977 -177.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.403 2.893 0 CA-C-N 115.327 -0.851 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 CA-C-O 124.8 2.334 . . . . 25.0 113.048 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 pt -64.75 -16.95 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 112.14 -2.03 . . . . 25.0 111.995 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.45 -29.43 70.51 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.198 176.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.2 p -64.03 -33.45 75.76 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.654 -0.419 . . . . 25.0 111.855 178.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -70.86 -39.47 72.9 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 179.155 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.44 -43.26 94.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.632 0.73 . . . . 25.0 109.234 176.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.95 -46.66 86.71 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.282 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -69.14 -25.58 64.46 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.037 -0.665 . . . . 25.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -68.78 -37.35 79.25 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.373 -0.931 . . . . 25.0 110.738 173.505 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -38.88 85.51 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 176.481 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.43 -35.64 79.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.123 -0.361 . . . . 25.0 110.848 178.077 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.83 -32.93 74.6 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.1 -37.11 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 177.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 mm -74.38 -38.64 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 179.226 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.55 68.86 1.6 Allowed 'General case' 0 C--O 1.256 1.441 0 N-CA-C 113.789 1.033 . . . . 25.0 113.789 178.412 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm 74.57 94.4 0.07 Allowed 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 128.084 2.553 . . . . 25.0 112.733 176.722 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.406 3.038 0 CA-C-N 113.773 -1.558 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.741 0 CA-C-O 124.063 1.924 . . . . 25.0 113.013 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 pt -71.15 -27.05 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 113.889 -1.156 . . . . 25.0 110.064 -177.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.01 -43.69 82.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -31.81 72.98 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.541 178.514 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -69.44 -43.87 72.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.966 0.889 . . . . 25.0 110.691 177.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.9 -45.8 92.15 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 178.754 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -60.08 -46.98 87.76 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.549 0.69 . . . . 25.0 111.519 178.597 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.5 -32.76 73.8 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 119.899 -1.751 . . . . 25.0 110.908 -176.211 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.6 -45.32 92.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.886 0.767 . . . . 25.0 112.181 177.198 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.22 -26.18 64.68 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.212 -0.93 . . . . 25.0 110.056 179.385 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.07 -31.8 70.81 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.165 -0.334 . . . . 25.0 111.068 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -57.85 -41.87 83.26 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.999 -0.438 . . . . 25.0 111.441 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mt -63.53 -38.57 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.619 -173.111 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt -77.58 -34.61 20.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 CA-C-O 121.284 0.564 . . . . 25.0 111.617 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.12 -48.27 44.99 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.882 1.438 . . . . 25.0 114.882 -172.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -165.79 -63.19 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 122.786 1.279 . . . . 25.0 113.472 -173.492 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.714 0 CA-C-N 114.877 -1.056 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.471 0.604 0 CA-C-O 120.974 0.416 . . . . 25.0 110.138 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.92 -31.99 71.5 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.127 -0.488 . . . . 25.0 109.942 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.7 t -64.73 -32.39 74.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.22 -0.3 . . . . 25.0 110.658 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -68.62 -35.47 77.35 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.411 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.98 -38.77 72.75 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.9 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -70.46 -21.72 62.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 119.12 -1.032 . . . . 25.0 110.653 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -39.44 79.01 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 118.838 0.745 . . . . 25.0 112.515 172.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.16 -30.53 63.64 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.021 -1.049 . . . . 25.0 108.779 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -66.87 -29.42 69.32 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.264 -0.897 . . . . 25.0 109.303 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -62.17 -33.29 74.25 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.287 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -71.63 -35.32 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 123.959 0.787 . . . . 25.0 109.344 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -179.675 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.246 0.903 0 CA-C-O 120.805 0.336 . . . . 25.0 111.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.07 -29.48 70.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 t -62.84 -29.67 70.91 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.691 -0.631 . . . . 25.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -67.51 -47.42 70.02 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.18 -42.96 99.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 25.0 110.079 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -62.81 -48.52 78.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.516 0.674 . . . . 25.0 111.198 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.66 -21.55 62.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 120.926 -1.109 . . . . 25.0 112.201 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.3 -37.73 83.86 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.927 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -39.13 82.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.6 -35.44 74.32 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.951 -0.468 . . . . 25.0 110.94 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -58.5 -34.66 71.17 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.8 -31.28 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 123.444 0.465 . . . . 25.0 111.242 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 121.251 0.548 . . . . 25.0 110.586 -178.674 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--O 1.211 -0.937 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.38 -41.31 93.51 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.883 0.373 . . . . 25.0 110.971 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.5 t -65.63 -33.4 75.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.433 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -65.8 -42.84 90.19 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.974 -0.454 . . . . 25.0 109.898 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.97 -42.59 99.87 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.352 0.596 . . . . 25.0 109.965 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.3 -48.08 79.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.545 0.688 . . . . 25.0 111.805 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -67.52 -26.08 66.15 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.466 -1.396 . . . . 25.0 111.291 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -69.27 -29.29 67.16 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.505 0.593 . . . . 25.0 110.166 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -72.08 -22.4 61.36 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.446 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.2 -34.93 75.88 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.342 0.519 . . . . 25.0 109.997 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -74.2 -40.59 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--O 1.217 -0.648 0 CA-C-O 121.006 0.431 . . . . 25.0 111.448 179.42 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 C--O 1.26 1.652 0 CA-C-O 122.314 1.054 . . . . 25.0 108.775 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.26 -43.01 96.51 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.465 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -36.35 72.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.463 -0.79 . . . . 25.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -67.33 -40.36 85.9 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.558 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.57 -35.87 65.51 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -63.84 -49.47 72.66 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -66.09 -30.99 71.6 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 119.66 -1.9 . . . . 25.0 108.87 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -58.25 -32.14 68.07 Favored 'General case' 0 C--O 1.171 -3.071 0 O-C-N 124.895 1.372 . . . . 25.0 110.007 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -42.83 83.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 122.391 1.091 . . . . 25.0 111.747 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -66.68 -33.41 75.57 Favored 'General case' 0 C--O 1.203 -1.355 0 O-C-N 120.481 -1.387 . . . . 25.0 111.239 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -33.67 71.56 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 108.442 -0.947 . . . . 25.0 108.442 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.18 -36.53 62.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.374 0 CA-C-O 122.695 1.236 . . . . 25.0 110.73 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--O 1.203 -1.36 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.29 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.235 0.341 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.91 -36.88 85.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.284 -0.416 . . . . 25.0 110.76 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -64.05 -38.07 89.73 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.875 -0.516 . . . . 25.0 109.964 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.103 -0.373 . . . . 25.0 110.848 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.61 -42.35 87.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.083 0.468 . . . . 25.0 110.303 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -64.92 -48.62 73.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 25.0 111.074 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.59 -26.18 65.25 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.249 -0.907 . . . . 25.0 111.292 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.05 -37.37 87.17 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 110.126 -0.324 . . . . 25.0 110.126 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.21 84.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.01 -21.3 65.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -60.39 -35.55 76.01 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.734 -0.604 . . . . 25.0 110.692 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mt -70.79 -31.32 45.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-O 121.221 0.534 . . . . 25.0 109.592 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mm . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.774 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.9 mm . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 121.945 0.878 . . . . 25.0 109.727 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.56 -42.09 95.88 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.231 -0.895 . . . . 25.0 110.851 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.2 p -65.84 -29.3 69.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.868 -0.52 . . . . 25.0 109.761 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 t -64.4 -49.99 69.38 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.349 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.68 -45.17 95.15 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -60.83 -45.79 93.1 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-N 115.639 -0.71 . . . . 25.0 112.075 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -70.65 -29.9 66.37 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 121.249 -0.907 . . . . 25.0 109.823 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.42 -42.11 96.22 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 119.203 -0.999 . . . . 25.0 110.409 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.52 -28.36 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 119.9 -0.72 . . . . 25.0 110.505 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -66.66 -36.52 82.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 122.091 -0.38 . . . . 25.0 110.505 173.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.33 -30.32 71.48 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mm -72.29 -39.29 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.314 -0.951 0 O-C-N 124.109 0.88 . . . . 25.0 110.556 -179.742 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.1 mt . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 108.651 -0.87 . . . . 25.0 108.651 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.88 -42.25 98.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.984 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.8 t -65.97 -39.6 90.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 25.0 110.487 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -64.99 -40.7 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.326 . . . . 25.0 110.606 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.81 -38.46 86.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 25.0 110.38 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -64.05 -47.17 81.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.382 0.61 . . . . 25.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -69.49 -26.73 64.7 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.126 -0.984 . . . . 25.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -63.56 -37.78 88.63 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.013 -0.429 . . . . 25.0 110.053 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -38.54 87.45 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -67.36 -33.11 74.54 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.212 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.4 -30.58 68.55 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -61.45 -35.36 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.383 0.611 . . . . 25.0 109.627 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 178.472 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 pt . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.3 tp -78.05 -36.94 47.82 Favored 'General case' 0 C--O 1.192 -1.932 0 CA-C-O 122.527 1.156 . . . . 25.0 111.661 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.4 t -65.24 -39.19 92.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 120.342 -1.474 . . . . 25.0 109.723 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -59.99 -51.92 67.59 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.19 -42.7 81.7 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.629 0.772 . . . . 25.0 110.84 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -65.71 -44.7 85.29 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 123.442 1.592 . . . . 25.0 111.503 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -70.81 -25.2 62.75 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 119.862 -1.774 . . . . 25.0 109.571 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -69.18 -32.88 72.49 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.509 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -33.21 71.18 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 104.741 -2.318 . . . . 25.0 104.741 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -67.91 -25.96 65.75 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -63.61 -32.4 73.85 Favored 'General case' 0 C--O 1.201 -1.495 0 CA-C-O 118.845 -0.598 . . . . 25.0 110.137 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -79.17 -28.39 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 122.708 1.242 . . . . 25.0 110.368 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--N 1.314 -0.944 0 CA-C-O 122.452 1.12 . . . . 25.0 109.028 173.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.79 0.805 . . . . 25.0 112.119 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -36.13 77.9 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.575 -1.328 . . . . 25.0 108.96 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -63.41 -38.62 91.84 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.546 -0.721 . . . . 25.0 109.432 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -61.61 -46.37 90.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.339 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.3 -42.27 93.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.978 -1.01 . . . . 25.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -61.77 -42.46 99.02 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -75.2 -23.73 57.7 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 118.851 -1.14 . . . . 25.0 111.636 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.2 -41.42 81.4 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.828 -0.545 . . . . 25.0 109.98 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.75 -31.69 61.86 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 119.462 -0.895 . . . . 25.0 111.767 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -65.05 -33.84 77.0 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.016 -0.538 . . . . 25.0 109.843 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.24 -30.84 71.76 Favored 'General case' 0 C--O 1.192 -1.95 0 C-N-CA 122.795 0.438 . . . . 25.0 111.435 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.44 -37.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.474 0.754 0 CA-C-N 114.766 -1.106 . . . . 25.0 110.049 176.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.3 pt . . . . . 0 CA--C 1.494 -1.197 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -72.14 -35.71 69.16 Favored 'General case' 0 C--O 1.247 0.924 0 O-C-N 121.074 -1.016 . . . . 25.0 110.039 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -66.64 -34.06 77.04 Favored 'General case' 0 C--O 1.252 1.211 0 C-N-CA 119.747 -0.781 . . . . 25.0 111.11 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.855 0.462 . . . . 25.0 110.758 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.15 -37.74 61.22 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.14 0.971 . . . . 25.0 109.902 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.14 -43.04 96.45 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.023 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.22 -30.7 68.92 Favored 'General case' 0 N--CA 1.434 -1.256 0 O-C-N 121.693 -0.629 . . . . 25.0 112.109 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -64.25 -45.3 88.75 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.457 1.098 . . . . 25.0 110.867 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.97 -24.04 55.37 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 118.498 -0.763 . . . . 25.0 109.043 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -66.87 -34.74 78.45 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 119.936 1.244 . . . . 25.0 110.844 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -34.54 71.97 Favored 'General case' 0 C--O 1.195 -1.81 0 CA-C-O 118.341 -0.837 . . . . 25.0 109.458 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.75 -32.89 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 118.555 -0.736 . . . . 25.0 109.755 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 123.133 1.444 . . . . 25.0 109.546 -179.148 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.224 -0.277 0 CA-C-O 120.462 0.172 . . . . 25.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.14 -41.56 66.99 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -59.56 -32.27 70.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.126 0.965 . . . . 25.0 112.059 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -69.99 -38.22 75.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.36 -39.8 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.541 0.686 . . . . 25.0 109.322 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -64.29 -41.65 96.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.426 0.631 . . . . 25.0 110.773 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.1 -22.85 62.04 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 120.719 -1.238 . . . . 25.0 111.314 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -68.81 -46.58 68.25 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.15 -29.12 67.93 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 120.182 -0.607 . . . . 25.0 111.413 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -64.42 -36.17 83.29 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.589 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -62.21 -31.89 72.48 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.05 -34.38 66.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.288 0.566 . . . . 25.0 109.858 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.544 0.688 . . . . 25.0 109.824 178.493 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 114.27 1.211 . . . . 25.0 114.27 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 tt -67.24 -41.8 85.04 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.737 -1.227 . . . . 25.0 108.24 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 t -67.11 -41.05 86.87 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-N 115.313 -0.858 . . . . 25.0 109.44 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -62.85 -44.63 95.63 Favored 'General case' 0 C--O 1.207 -1.178 0 O-C-N 123.646 0.591 . . . . 25.0 110.129 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.33 -38.71 92.0 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.867 0.842 . . . . 25.0 110.695 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -64.23 -44.51 91.61 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -74.57 -21.11 59.67 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.412 -1.43 . . . . 25.0 114.096 176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -60.91 -37.52 82.51 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -41.37 60.61 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.905 -0.405 . . . . 25.0 109.905 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -58.95 -27.42 65.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.432 1.093 . . . . 25.0 112.521 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -62.41 -37.88 87.53 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.65 -35.53 61.44 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 CA-C-O 121.51 0.671 . . . . 25.0 110.031 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.5 mm . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 123.686 0.794 . . . . 25.0 110.773 -179.805 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.483 1.224 0 N-CA-C 110.764 -0.087 . . . . 25.0 110.764 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tt -73.49 -41.31 63.28 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.65 -2.722 . . . . 25.0 103.65 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -69.32 -28.86 66.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.66 0.663 . . . . 25.0 112.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -65.72 -44.96 84.48 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.83 -40.1 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 123.034 1.397 . . . . 25.0 110.543 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -58.2 -42.2 85.63 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 113.069 -1.878 . . . . 25.0 111.715 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -71.88 -28.17 63.34 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.21 -35.77 81.88 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.21 -0.931 . . . . 25.0 109.283 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.83 74.35 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.098 -1.626 . . . . 25.0 108.481 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -61.76 -28.22 69.29 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -54.73 -40.88 69.71 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mt -70.51 -35.51 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 122.347 1.07 . . . . 25.0 108.944 -172.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 N--CA 1.501 2.106 0 C-N-CA 124.519 1.128 . . . . 25.0 113.587 179.579 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 107.028 -1.471 . . . . 25.0 107.028 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.84 -41.74 99.46 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.22 -0.9 . . . . 25.0 110.513 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -64.79 -38.96 92.73 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.991 -0.443 . . . . 25.0 111.012 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -63.76 -49.64 72.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -41.94 87.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.297 0.57 . . . . 25.0 111.056 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -61.63 -45.85 92.31 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.474 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -70.71 -21.57 62.54 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.167 -0.958 . . . . 25.0 112.929 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.7 -45.67 91.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.895 0.771 . . . . 25.0 109.645 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -33.77 76.57 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.453 0.644 . . . . 25.0 110.011 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -66.36 -30.37 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.709 -0.619 . . . . 25.0 111.68 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.23 -34.53 77.85 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 119.477 -0.297 . . . . 25.0 111.349 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -63.71 -34.26 66.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.701 0.762 . . . . 25.0 110.05 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mm . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.623 0.725 . . . . 25.0 109.686 178.882 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.625 0.726 . . . . 25.0 109.127 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.54 -45.54 79.1 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 121.638 -0.664 . . . . 25.0 112.013 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 -47.99 57.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.83 -42.43 75.75 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 114.999 -1.001 . . . . 25.0 110.569 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.406 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.1 t90 -63.5 -40.96 98.44 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-O 121.887 0.851 . . . . 25.0 112.028 -176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -72.05 -30.03 64.76 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 120.251 -1.531 . . . . 25.0 109.441 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -60.67 -45.35 94.46 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 121.474 -0.766 . . . . 25.0 110.793 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 7' ' ' TRP . 4.5 pp -71.91 -27.7 63.0 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 121.112 0.482 . . . . 25.0 110.07 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -70.11 -41.5 73.9 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -57.85 -30.83 66.1 Favored 'General case' 0 C--O 1.2 -1.533 0 CA-C-N 115.636 -0.711 . . . . 25.0 112.543 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.5 -41.68 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 109.4 -0.592 . . . . 25.0 109.4 -179.694 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.945 0.402 . . . . 25.0 110.527 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.79 -41.49 97.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.056 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -34.56 78.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 25.0 111.56 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -70.53 -38.1 74.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 25.0 109.753 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -40.62 90.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.292 0.567 . . . . 25.0 109.556 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -63.49 -49.0 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.961 -0.462 . . . . 25.0 111.158 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -68.63 -21.64 64.46 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.3 -0.875 . . . . 25.0 112.369 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -61.35 -38.21 86.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.578 -0.156 . . . . 25.0 110.578 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -37.04 78.42 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.219 -0.592 . . . . 25.0 110.276 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -64.72 -29.32 70.3 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -56.54 -39.69 73.84 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.658 0.266 . . . . 25.0 110.627 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -67.01 -38.77 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.256 0.551 . . . . 25.0 110.261 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.664 -0.698 . . . . 25.0 110.247 -179.809 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.486 0.66 . . . . 25.0 109.85 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.16 -32.82 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 25.0 111.537 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.86 87.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 25.0 111.296 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -75.06 -25.56 58.72 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.004 -0.678 . . . . 25.0 112.809 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.15 -41.84 85.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.231 -1.026 . . . . 25.0 108.231 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -66.65 -41.29 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.157 -0.929 . . . . 25.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -71.35 -27.96 63.72 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.926 -1.109 . . . . 25.0 110.511 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.94 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.95 -31.24 68.87 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.474 -0.49 . . . . 25.0 111.227 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -69.29 -32.16 71.14 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.733 -0.604 . . . . 25.0 111.067 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.15 -30.35 71.27 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 122.172 -0.33 . . . . 25.0 111.239 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.14 -37.79 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mm . . . . . 0 CA--C 1.539 0.556 0 CA-C-O 121.267 0.556 . . . . 25.0 111.155 178.25 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 C--O 1.21 -1.001 0 CA-C-O 122.072 0.939 . . . . 25.0 111.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.73 -34.7 72.17 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.33 -0.856 . . . . 25.0 109.139 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -64.86 -32.82 74.7 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 123.56 0.538 . . . . 25.0 111.321 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -68.95 -39.86 79.27 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.314 0.578 . . . . 25.0 109.758 177.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.2 mt -66.74 -44.35 81.73 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 119.075 -0.488 . . . . 25.0 109.782 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -57.7 -50.77 72.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.31 0.381 . . . . 25.0 111.639 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -63.87 -23.02 67.19 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.363 -0.836 . . . . 25.0 112.466 -174.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -67.99 -29.35 68.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 119.123 0.874 . . . . 25.0 110.345 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -38.89 79.39 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -68.51 -29.73 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.595 0.712 . . . . 25.0 110.545 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -59.89 -30.45 69.03 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.494 -0.754 . . . . 25.0 112.849 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.91 -37.04 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-O 121.634 0.73 . . . . 25.0 109.609 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.8 mm . . . . . 0 C--N 1.31 -1.119 0 CA-C-N 115.299 -0.864 . . . . 25.0 110.422 -178.687 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.3 pt . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 112.482 0.549 . . . . 25.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.17 -35.23 79.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -65.44 -33.99 77.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 25.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -71.93 -38.99 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.253 0.549 . . . . 25.0 109.943 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.11 -42.02 97.02 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.496 0.665 . . . . 25.0 109.652 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -64.62 -49.05 72.59 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 114.983 -1.008 . . . . 25.0 110.984 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.91 -22.53 65.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.956 -1.09 . . . . 25.0 111.896 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -60.94 -46.41 90.8 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 121.864 -0.522 . . . . 25.0 110.232 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.89 -38.59 83.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.39 . . . . 25.0 110.292 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -63.78 -31.85 73.16 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.561 -0.712 . . . . 25.0 111.397 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -66.36 -33.62 76.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.03 -37.3 72.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 116.035 -0.529 . . . . 25.0 111.352 177.827 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -43.06 96.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.075 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -35.03 78.96 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 123.933 0.893 . . . . 25.0 111.971 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -70.21 -40.61 74.46 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.82 -0.752 . . . . 25.0 110.715 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.09 -35.6 80.94 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.486 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.74 -46.85 86.14 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.678 0.752 . . . . 25.0 111.329 178.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -69.64 -33.3 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.893 -1.13 . . . . 25.0 108.583 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -63.79 -35.9 82.12 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 119.396 -0.335 . . . . 25.0 111.201 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -39.99 87.79 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.621 0.724 . . . . 25.0 109.355 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -65.23 -34.48 78.46 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.538 -0.726 . . . . 25.0 111.037 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.64 -40.76 97.69 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.481 -0.327 . . . . 25.0 110.715 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.24 -37.03 78.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-O 121.392 0.615 . . . . 25.0 110.568 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mm . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 121.478 0.656 . . . . 25.0 110.698 177.985 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -39.73 78.06 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 121.458 0.647 . . . . 25.0 112.238 173.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.6 t -63.05 -36.39 83.42 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -176.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -72.22 -40.29 67.92 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-O 116.644 -1.645 . . . . 25.0 113.432 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.99 -34.65 78.01 Favored 'General case' 0 C--O 1.258 1.502 0 CA-C-N 120.912 1.687 . . . . 25.0 113.02 174.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -63.53 -48.94 75.48 Favored 'General case' 0 C--O 1.268 2.032 0 CA-C-N 114.23 -1.35 . . . . 25.0 110.897 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -72.86 -27.18 61.77 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 113.793 1.034 . . . . 25.0 113.793 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -65.28 -42.93 92.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.98 -20.63 59.58 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -67.48 -31.1 71.01 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.75 -33.35 71.55 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 114.095 1.146 . . . . 25.0 114.095 174.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.65 -30.67 29.84 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt . . . . . 0 C--N 1.317 -0.843 0 O-C-N 120.416 -1.428 . . . . 25.0 112.786 178.43 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.2 pt . . . . . 0 C--O 1.207 -1.157 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.96 -36.04 69.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 O-C-N 119.939 -1.726 . . . . 25.0 108.978 172.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -67.94 -31.27 70.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.855 -1.153 . . . . 25.0 109.142 -175.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -70.75 -44.56 66.5 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.412 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.07 -36.17 80.85 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 121.634 0.73 . . . . 25.0 111.268 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -69.21 -46.14 68.13 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.263 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -68.82 -25.09 64.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.662 -1.274 . . . . 25.0 110.805 178.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -63.21 -42.22 99.26 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.414 -0.914 . . . . 25.0 109.009 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.11 -37.68 81.43 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.76 0.791 . . . . 25.0 110.94 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.56 -33.9 77.0 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -33.54 76.24 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-O 118.468 -0.777 . . . . 25.0 112.535 177.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -56.12 -38.14 52.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 113.82 1.045 . . . . 25.0 113.82 174.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.1 mm . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 122.29 1.043 . . . . 25.0 111.272 -179.825 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.769 0.319 . . . . 25.0 111.041 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.83 -22.03 60.87 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.265 -0.897 . . . . 25.0 111.872 178.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -67.75 -30.08 69.47 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.21 -0.931 . . . . 25.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -69.41 -39.55 77.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.326 1.06 . . . . 25.0 109.02 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.62 -40.62 80.3 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 115.233 -0.894 . . . . 25.0 108.888 179.012 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -60.58 -48.44 81.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.482 -178.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -30.05 68.34 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.937 -1.102 . . . . 25.0 111.013 178.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.32 -46.47 83.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.86 0.3 . . . . 25.0 110.923 178.399 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.32 -28.88 64.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 118.502 0.592 . . . . 25.0 110.815 -178.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -66.81 -35.16 79.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.634 179.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -64.21 -32.71 74.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.535 0.568 . . . . 25.0 112.535 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mm -69.81 -38.88 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 -175.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--O 1.212 -0.921 0 O-C-N 124.038 0.837 . . . . 25.0 109.515 179.967 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.5 mt . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 121.705 0.764 . . . . 25.0 111.415 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.72 -31.42 69.6 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.491 -0.756 . . . . 25.0 110.929 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -59.16 -34.17 71.77 Favored 'General case' 0 C--O 1.246 0.896 0 O-C-N 124.265 0.978 . . . . 25.0 113.468 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -61.14 -51.45 69.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 123.822 0.702 . . . . 25.0 109.355 178.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.7 -41.19 98.16 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -177.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -61.48 -47.49 85.43 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.204 -0.907 . . . . 25.0 110.864 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -66.24 -25.99 67.15 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.073 -1.017 . . . . 25.0 112.592 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -62.59 -43.81 97.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 119.095 -0.479 . . . . 25.0 110.199 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -30.71 65.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 119.668 -0.813 . . . . 25.0 110.212 177.215 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -64.07 -26.29 68.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 119.017 -0.516 . . . . 25.0 112.367 176.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.97 -37.34 86.72 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 117.833 0.288 . . . . 25.0 110.26 175.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -64.36 -35.59 74.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.645 0 CA-C-O 121.698 0.761 . . . . 25.0 110.307 -177.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt . . . . . 0 C--O 1.218 -0.581 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.979 178.809 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.5 mt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 122.113 0.958 . . . . 25.0 110.791 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.9 -40.15 95.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.207 -0.906 . . . . 25.0 109.911 178.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -65.67 -30.92 71.68 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -68.36 -42.45 79.16 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.19 -42.54 99.37 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.439 0.637 . . . . 25.0 109.911 178.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -60.19 -49.63 76.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.155 -178.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -73.39 -27.63 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.712 -1.242 . . . . 25.0 112.126 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -57.09 -49.14 76.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 120.917 -0.313 . . . . 25.0 110.703 173.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.98 -26.82 63.31 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.783 -0.573 . . . . 25.0 111.405 -178.363 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -70.28 -21.52 62.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 178.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.75 -31.15 66.2 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 120.883 0.373 . . . . 25.0 111.851 176.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.64 -28.7 42.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 CA-C-O 121.401 0.62 . . . . 25.0 109.929 -178.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.126 0.488 . . . . 25.0 110.588 178.341 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 C--O 1.218 -0.561 0 N-CA-C 114.483 1.29 . . . . 25.0 114.483 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.04 -33.07 74.92 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 120.948 -1.095 . . . . 25.0 109.92 176.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -31.04 69.66 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.823 0.344 . . . . 25.0 110.55 -176.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -63.14 -52.95 60.45 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.605 0.717 . . . . 25.0 110.871 175.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.85 -45.37 78.46 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.05 0.94 . . . . 25.0 112.16 175.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.78 -48.06 83.2 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 114.097 -1.41 . . . . 25.0 112.407 178.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -69.69 -21.14 63.53 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 120.198 -1.564 . . . . 25.0 113.472 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -36.74 82.61 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -30.92 40.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.42 -23.45 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.203 -0.936 . . . . 25.0 110.175 177.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.59 -37.78 82.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.489 0.493 . . . . 25.0 112.323 174.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.07 -36.68 77.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-O 121.591 0.71 . . . . 25.0 109.856 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.8 mm . . . . . 0 C--N 1.317 -0.818 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.5 pt . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.62 -34.84 76.35 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 176.371 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -36.33 82.89 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.634 -0.257 . . . . 25.0 110.622 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -64.64 -42.32 95.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.029 0.442 . . . . 25.0 110.52 178.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.2 -41.37 98.3 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.657 0.742 . . . . 25.0 109.565 177.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -67.63 -42.85 81.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.493 -179.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.23 -25.83 64.5 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.114 -0.991 . . . . 25.0 110.861 -178.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -59.6 -37.24 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -42.86 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.213 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -61.4 -38.97 89.01 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.165 -0.335 . . . . 25.0 111.324 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -30.19 71.21 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.63 0.604 . . . . 25.0 112.63 -178.251 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.49 -37.1 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mm . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 121.363 0.602 . . . . 25.0 109.913 178.947 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.6 pt . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 120.546 0.213 . . . . 25.0 111.38 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.44 -36.31 73.89 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 177.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 t -65.78 -36.43 83.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 178.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -65.78 -40.97 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.963 -0.295 . . . . 25.0 110.76 176.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.45 -43.22 91.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 122.012 0.911 . . . . 25.0 109.176 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -62.76 -42.0 99.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.203 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -67.1 -35.28 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.324 -0.86 . . . . 25.0 110.067 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.26 -38.25 86.04 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 111.524 0.194 . . . . 25.0 111.524 177.37 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.1 -33.34 44.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.249 -0.58 . . . . 25.0 111.826 176.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.74 -30.55 70.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.745 0.307 . . . . 25.0 110.861 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -55.75 -35.36 66.1 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.084 0.401 . . . . 25.0 112.084 176.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.38 -40.09 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.149 0.5 . . . . 25.0 110.181 -178.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.393 0.615 . . . . 25.0 110.036 179.825 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 121.176 0.512 . . . . 25.0 111.995 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.45 -29.43 70.51 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.198 176.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.2 p -64.03 -33.45 75.76 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.654 -0.419 . . . . 25.0 111.855 178.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -70.86 -39.47 72.9 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 179.155 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.44 -43.26 94.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.632 0.73 . . . . 25.0 109.234 176.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.95 -46.66 86.71 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.282 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -69.14 -25.58 64.46 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.037 -0.665 . . . . 25.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -68.78 -37.35 79.25 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.373 -0.931 . . . . 25.0 110.738 173.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -38.88 85.51 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 176.481 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.43 -35.64 79.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.123 -0.361 . . . . 25.0 110.848 178.077 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.83 -32.93 74.6 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.1 -37.11 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 177.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 179.226 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 pt . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 110.064 -0.347 . . . . 25.0 110.064 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.01 -43.69 82.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -31.81 72.98 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.541 178.514 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -69.44 -43.87 72.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.966 0.889 . . . . 25.0 110.691 177.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.9 -45.8 92.15 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 178.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -60.08 -46.98 87.76 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.549 0.69 . . . . 25.0 111.519 178.597 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.5 -32.76 73.8 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 119.899 -1.751 . . . . 25.0 110.908 -176.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.6 -45.32 92.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.886 0.767 . . . . 25.0 112.181 177.198 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.22 -26.18 64.68 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.212 -0.93 . . . . 25.0 110.056 179.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.07 -31.8 70.81 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.165 -0.334 . . . . 25.0 111.068 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -57.85 -41.87 83.26 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.999 -0.438 . . . . 25.0 111.441 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mt -63.53 -38.57 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.619 -173.111 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.241 0.633 0 CA-C-O 121.284 0.564 . . . . 25.0 111.617 179.679 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.788 0 CA-C-O 123.685 1.714 . . . . 25.0 115.05 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.88 -34.78 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 O-C-N 120.353 -1.675 . . . . 25.0 110.138 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.92 -31.99 71.5 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.127 -0.488 . . . . 25.0 109.942 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.7 t -64.73 -32.39 74.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.22 -0.3 . . . . 25.0 110.658 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -68.62 -35.47 77.35 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.411 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.98 -38.77 72.75 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.53 -0.759 . . . . 25.0 109.9 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -70.46 -21.72 62.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 119.12 -1.032 . . . . 25.0 110.653 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -39.44 79.01 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 118.838 0.745 . . . . 25.0 112.515 172.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.16 -30.53 63.64 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.021 -1.049 . . . . 25.0 108.779 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -66.87 -29.42 69.32 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.264 -0.897 . . . . 25.0 109.303 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -62.17 -33.29 74.25 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.287 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -71.63 -35.32 55.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 123.959 0.787 . . . . 25.0 109.344 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.48 -38.31 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.0 43.01 0.83 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 tttt 60.72 106.77 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 124.688 2.185 . . . . 25.0 116.104 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.431 4.12 0 CA-C-N 112.867 -1.969 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.053 0 CA-C-O 122.8 1.222 . . . . 25.0 115.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.76 -37.12 64.26 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 O-C-N 120.376 -1.661 . . . . 25.0 111.883 -175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.07 -29.48 70.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 t -62.84 -29.67 70.91 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.691 -0.631 . . . . 25.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -67.51 -47.42 70.02 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.18 -42.96 99.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 25.0 110.079 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -62.81 -48.52 78.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.516 0.674 . . . . 25.0 111.198 -177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -70.66 -21.55 62.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 120.926 -1.109 . . . . 25.0 112.201 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.3 -37.73 83.86 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.298 -0.561 . . . . 25.0 110.927 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.23 -39.13 82.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.6 -35.44 74.32 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.951 -0.468 . . . . 25.0 110.94 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -58.5 -34.66 71.17 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.8 -31.28 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 123.444 0.465 . . . . 25.0 111.242 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.4 mm -62.45 -34.79 66.51 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-O 121.251 0.548 . . . . 25.0 110.586 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.8 47.51 0.98 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.934 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -160.62 55.75 0.32 Allowed 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 123.722 1.725 . . . . 25.0 113.12 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.401 2.814 0 CA-C-N 114.093 -1.412 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 CA-C-O 124.039 1.91 . . . . 25.0 114.794 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.09 -39.91 83.93 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 O-C-N 120.618 -1.519 . . . . 25.0 109.374 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.38 -41.31 93.51 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.883 0.373 . . . . 25.0 110.971 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.5 t -65.63 -33.4 75.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.948 0.404 . . . . 25.0 110.433 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -65.8 -42.84 90.19 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.974 -0.454 . . . . 25.0 109.898 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.97 -42.59 99.87 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.352 0.596 . . . . 25.0 109.965 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -63.3 -48.08 79.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.545 0.688 . . . . 25.0 111.805 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -67.52 -26.08 66.15 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.466 -1.396 . . . . 25.0 111.291 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -69.27 -29.29 67.16 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.505 0.593 . . . . 25.0 110.166 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -40.11 84.44 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -72.08 -22.4 61.36 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.446 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.2 -34.93 75.88 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.342 0.519 . . . . 25.0 109.997 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -74.2 -40.59 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm -65.48 -37.99 81.38 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 CA-C-O 121.006 0.431 . . . . 25.0 111.448 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.18 90.36 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.722 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.253 7.9 tmtt? 69.1 73.33 0.26 Allowed 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 124.657 2.17 . . . . 25.0 113.05 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.425 3.88 0 CA-C-N 112.883 -1.962 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.051 0 CA-C-O 126.013 3.007 . . . . 25.0 113.131 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.39 -39.01 81.32 Favored 'Isoleucine or valine' 0 C--O 1.26 1.652 0 O-C-N 120.694 -1.474 . . . . 25.0 108.775 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.26 -43.01 96.51 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.465 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.02 -36.35 72.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.463 -0.79 . . . . 25.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -67.33 -40.36 85.9 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.558 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.57 -35.87 65.51 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -63.84 -49.47 72.66 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.355 -0.384 . . . . 25.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -66.09 -30.99 71.6 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 119.66 -1.9 . . . . 25.0 108.87 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -58.25 -32.14 68.07 Favored 'General case' 0 C--O 1.171 -3.071 0 O-C-N 124.895 1.372 . . . . 25.0 110.007 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -42.83 83.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 122.391 1.091 . . . . 25.0 111.747 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -66.68 -33.41 75.57 Favored 'General case' 0 C--O 1.203 -1.355 0 O-C-N 120.481 -1.387 . . . . 25.0 111.239 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -33.67 71.56 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 108.442 -0.947 . . . . 25.0 108.442 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.18 -36.53 62.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.374 0 CA-C-O 122.695 1.236 . . . . 25.0 110.73 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.88 -37.23 67.49 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.36 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.09 93.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.43 -65.86 0.07 Allowed 'General case' 0 C--O 1.179 -2.614 0 C-N-CA 126.906 2.083 . . . . 25.0 115.19 -174.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.446 4.766 0 O-C-N 120.483 -1.385 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.598 0 CA-C-O 124.754 2.308 . . . . 25.0 112.798 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.82 -37.57 78.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 112.886 -1.657 . . . . 25.0 109.359 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.91 -36.88 85.4 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.284 -0.416 . . . . 25.0 110.76 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -64.05 -38.07 89.73 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.875 -0.516 . . . . 25.0 109.964 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.58 -42.12 98.31 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.103 -0.373 . . . . 25.0 110.848 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.61 -42.35 87.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.083 0.468 . . . . 25.0 110.303 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -64.92 -48.62 73.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 25.0 111.074 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.59 -26.18 65.25 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.249 -0.907 . . . . 25.0 111.292 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.05 -37.37 87.17 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 110.126 -0.324 . . . . 25.0 110.126 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.21 84.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -67.01 -21.3 65.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.708 0.633 . . . . 25.0 112.708 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -60.39 -35.55 76.01 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.734 -0.604 . . . . 25.0 110.692 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mt -70.79 -31.32 45.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-O 121.221 0.534 . . . . 25.0 109.592 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.36 -31.51 53.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 109.598 -0.519 . . . . 25.0 109.598 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.26 -40.24 37.7 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.612 -0.267 . . . . 25.0 111.328 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -171.11 128.65 0.72 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 126.462 1.905 . . . . 25.0 111.471 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.405 2.995 0 CA-C-N 115.025 -0.989 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 CA-C-O 123.386 1.548 . . . . 25.0 113.702 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.9 mm -62.54 -38.46 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 119.917 -1.931 . . . . 25.0 109.727 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.56 -42.09 95.88 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.231 -0.895 . . . . 25.0 110.851 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.2 p -65.84 -29.3 69.75 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.868 -0.52 . . . . 25.0 109.761 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 t -64.4 -49.99 69.38 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.349 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.68 -45.17 95.15 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.668 -0.864 . . . . 25.0 108.668 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.7 t90 -60.83 -45.79 93.1 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-N 115.639 -0.71 . . . . 25.0 112.075 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -70.65 -29.9 66.37 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 121.249 -0.907 . . . . 25.0 109.823 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.42 -42.11 96.22 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 119.203 -0.999 . . . . 25.0 110.409 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.52 -28.36 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 119.9 -0.72 . . . . 25.0 110.505 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -66.66 -36.52 82.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 122.091 -0.38 . . . . 25.0 110.505 173.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.33 -30.32 71.48 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 112.667 0.617 . . . . 25.0 112.667 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mm -72.29 -39.29 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 107.173 -1.418 . . . . 25.0 107.173 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.55 -34.64 71.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 O-C-N 124.109 0.88 . . . . 25.0 110.556 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.67 47.75 1.25 Allowed 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.4 1.095 . . . . 25.0 111.878 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -153.08 -31.63 0.13 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 125.064 1.346 . . . . 25.0 113.703 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.068 0 O-C-N 121.218 -0.926 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 CA-C-O 122.826 1.236 . . . . 25.0 114.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.03 -39.06 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 O-C-N 121.529 -0.983 . . . . 25.0 108.651 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.88 -42.25 98.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 25.0 110.984 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.8 t -65.97 -39.6 90.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 25.0 110.487 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -64.99 -40.7 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.326 . . . . 25.0 110.606 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.81 -38.46 86.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 25.0 110.38 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -64.05 -47.17 81.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.382 0.61 . . . . 25.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -69.49 -26.73 64.7 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.126 -0.984 . . . . 25.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -63.56 -37.78 88.63 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.013 -0.429 . . . . 25.0 110.053 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -38.54 87.45 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -67.36 -33.11 74.54 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 120.701 -0.4 . . . . 25.0 110.212 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -59.4 -30.58 68.55 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -61.45 -35.36 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.383 0.611 . . . . 25.0 109.627 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -79.11 -41.23 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.36 70.16 9.07 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.517 -0.765 . . . . 25.0 112.682 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 69.74 73.37 0.23 Allowed 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 126.848 2.059 . . . . 25.0 113.609 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.457 0 CA-C-N 113.767 -1.561 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.184 0 CA-C-O 125.424 2.68 . . . . 25.0 115.4 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 pt -66.06 -23.47 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 116.665 -3.844 . . . . 25.0 108.899 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.3 tp -78.05 -36.94 47.82 Favored 'General case' 0 C--O 1.192 -1.932 0 CA-C-O 122.527 1.156 . . . . 25.0 111.661 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.4 t -65.24 -39.19 92.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 120.342 -1.474 . . . . 25.0 109.723 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -59.99 -51.92 67.59 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.19 -42.7 81.7 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.629 0.772 . . . . 25.0 110.84 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -65.71 -44.7 85.29 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 123.442 1.592 . . . . 25.0 111.503 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -70.81 -25.2 62.75 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 119.862 -1.774 . . . . 25.0 109.571 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -69.18 -32.88 72.49 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.509 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -33.21 71.18 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 104.741 -2.318 . . . . 25.0 104.741 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -67.91 -25.96 65.75 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -63.61 -32.4 73.85 Favored 'General case' 0 C--O 1.201 -1.495 0 CA-C-O 118.845 -0.598 . . . . 25.0 110.137 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -79.17 -28.39 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 122.708 1.242 . . . . 25.0 110.368 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.15 -39.93 85.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-O 122.452 1.12 . . . . 25.0 109.028 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -56.9 7.6 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 114.452 -1.249 . . . . 25.0 110.523 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -127.89 126.14 40.98 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 116.217 1.932 . . . . 25.0 116.217 -172.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.42 3.67 0 CA-C-N 115.164 -0.926 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.703 0 CA-C-O 122.351 0.973 . . . . 25.0 113.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -67.11 -28.71 43.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 O-C-N 120.212 -1.757 . . . . 25.0 112.119 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -36.13 77.9 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.575 -1.328 . . . . 25.0 108.96 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -63.41 -38.62 91.84 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.546 -0.721 . . . . 25.0 109.432 176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -61.61 -46.37 90.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.339 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.3 -42.27 93.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.978 -1.01 . . . . 25.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -61.77 -42.46 99.02 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -75.2 -23.73 57.7 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 118.851 -1.14 . . . . 25.0 111.636 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.2 -41.42 81.4 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.828 -0.545 . . . . 25.0 109.98 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.75 -31.69 61.86 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 119.462 -0.895 . . . . 25.0 111.767 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -65.05 -33.84 77.0 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.016 -0.538 . . . . 25.0 109.843 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.24 -30.84 71.76 Favored 'General case' 0 C--O 1.192 -1.95 0 C-N-CA 122.795 0.438 . . . . 25.0 111.435 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.44 -37.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.7 mt -75.53 -38.2 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 114.766 -1.106 . . . . 25.0 110.049 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.63 51.17 1.0 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 113.737 1.014 . . . . 25.0 113.737 -173.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 63.73 97.25 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.54 0 CA-C-O 125.191 2.424 . . . . 25.0 116.572 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.425 3.882 0 O-C-N 120.316 -1.49 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 CA-C-O 125.882 2.935 . . . . 25.0 112.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.3 pt -67.42 -28.88 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.197 0 O-C-N 120.172 -1.781 . . . . 25.0 112.52 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -72.14 -35.71 69.16 Favored 'General case' 0 C--O 1.247 0.924 0 O-C-N 121.074 -1.016 . . . . 25.0 110.039 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -66.64 -34.06 77.04 Favored 'General case' 0 C--O 1.252 1.211 0 C-N-CA 119.747 -0.781 . . . . 25.0 111.11 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.855 0.462 . . . . 25.0 110.758 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.15 -37.74 61.22 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.14 0.971 . . . . 25.0 109.902 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -64.14 -43.04 96.45 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.023 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.22 -30.7 68.92 Favored 'General case' 0 N--CA 1.434 -1.256 0 O-C-N 121.693 -0.629 . . . . 25.0 112.109 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -64.25 -45.3 88.75 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.457 1.098 . . . . 25.0 110.867 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.97 -24.04 55.37 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 118.498 -0.763 . . . . 25.0 109.043 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -66.87 -34.74 78.45 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 119.936 1.244 . . . . 25.0 110.844 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.0 -34.54 71.97 Favored 'General case' 0 C--O 1.195 -1.81 0 CA-C-O 118.341 -0.837 . . . . 25.0 109.458 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.75 -32.89 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 118.555 -0.736 . . . . 25.0 109.755 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.1 mt -83.02 -41.01 16.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 123.133 1.444 . . . . 25.0 109.546 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.71 79.96 7.26 Favored 'General case' 0 CA--C 1.59 2.499 0 CA-C-N 113.102 -1.863 . . . . 25.0 112.298 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 84.56 65.47 0.01 OUTLIER 'General case' 0 N--CA 1.539 3.992 0 C-N-CA 127.259 2.223 . . . . 25.0 106.729 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.415 3.455 0 CA-C-N 112.157 -2.292 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 CA-C-O 123.854 1.808 . . . . 25.0 116.131 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.63 -30.95 49.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 O-C-N 120.739 -1.448 . . . . 25.0 110.921 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.14 -41.56 66.99 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -59.56 -32.27 70.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.126 0.965 . . . . 25.0 112.059 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -69.99 -38.22 75.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.36 -39.8 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.541 0.686 . . . . 25.0 109.322 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -64.29 -41.65 96.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.426 0.631 . . . . 25.0 110.773 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.1 -22.85 62.04 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 120.719 -1.238 . . . . 25.0 111.314 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -68.81 -46.58 68.25 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.15 -29.12 67.93 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 120.182 -0.607 . . . . 25.0 111.413 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -64.42 -36.17 83.29 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.589 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -62.21 -31.89 72.48 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.05 -34.38 66.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.288 0.566 . . . . 25.0 109.858 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -83.78 -41.38 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.544 0.688 . . . . 25.0 109.824 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.44 70.53 3.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.772 -0.649 . . . . 25.0 111.441 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 tttp 80.11 92.21 0.05 Allowed 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 128.157 2.583 . . . . 25.0 113.371 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.411 3.268 0 CA-C-N 113.417 -1.719 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.538 0 CA-C-O 123.283 1.49 . . . . 25.0 115.032 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 pt -65.75 -27.74 42.19 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 O-C-N 120.534 -1.568 . . . . 25.0 114.27 -171.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 tt -67.24 -41.8 85.04 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.737 -1.227 . . . . 25.0 108.24 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 t -67.11 -41.05 86.87 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-N 115.313 -0.858 . . . . 25.0 109.44 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -62.85 -44.63 95.63 Favored 'General case' 0 C--O 1.207 -1.178 0 O-C-N 123.646 0.591 . . . . 25.0 110.129 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.33 -38.71 92.0 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.867 0.842 . . . . 25.0 110.695 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -64.23 -44.51 91.61 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -74.57 -21.11 59.67 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.412 -1.43 . . . . 25.0 114.096 176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -60.91 -37.52 82.51 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -41.37 60.61 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.905 -0.405 . . . . 25.0 109.905 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -58.95 -27.42 65.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.432 1.093 . . . . 25.0 112.521 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -62.41 -37.88 87.53 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.65 -35.53 61.44 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 CA-C-O 121.51 0.671 . . . . 25.0 110.031 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.5 mm -66.81 -25.94 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.686 0.794 . . . . 25.0 110.773 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 73.69 9.18 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 120.964 -1.085 . . . . 25.0 109.995 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.293 41.3 tttm 88.05 90.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 127.309 2.881 . . . . 25.0 111.133 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.388 2.259 0 CA-C-N 114.371 -1.286 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.532 5.034 0 N-CA-C 116.592 1.397 . . . . 25.0 116.592 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -61.43 -28.12 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 114.208 -0.996 . . . . 25.0 110.764 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tt -73.49 -41.31 63.28 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 103.65 -2.722 . . . . 25.0 103.65 -173.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -69.32 -28.86 66.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.66 0.663 . . . . 25.0 112.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -65.72 -44.96 84.48 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.83 -40.1 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 123.034 1.397 . . . . 25.0 110.543 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -58.2 -42.2 85.63 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 113.069 -1.878 . . . . 25.0 111.715 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -71.88 -28.17 63.34 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.21 -35.77 81.88 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.21 -0.931 . . . . 25.0 109.283 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -33.83 74.35 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.098 -1.626 . . . . 25.0 108.481 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -61.76 -28.22 69.29 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -54.73 -40.88 69.71 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mt -70.51 -35.51 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 122.347 1.07 . . . . 25.0 108.944 -172.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.2 mm -83.8 -1.27 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 C-N-CA 124.519 1.128 . . . . 25.0 113.587 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.51 60.94 1.68 Allowed 'General case' 0 C--O 1.25 1.079 0 O-C-N 120.827 -1.171 . . . . 25.0 110.016 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.313 46.6 mttp 70.34 85.57 0.13 Allowed 'General case' 0 N--CA 1.527 3.415 0 O-C-N 126.788 2.555 . . . . 25.0 112.135 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.443 4.646 0 CA-C-N 113.378 -1.737 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.739 0 CA-C-O 123.395 1.553 . . . . 25.0 114.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.1 -41.85 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 107.028 -1.471 . . . . 25.0 107.028 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.84 -41.74 99.46 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.22 -0.9 . . . . 25.0 110.513 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -64.79 -38.96 92.73 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 121.991 -0.443 . . . . 25.0 111.012 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -63.76 -49.64 72.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -41.94 87.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.297 0.57 . . . . 25.0 111.056 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -61.63 -45.85 92.31 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.474 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -70.71 -21.57 62.54 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.167 -0.958 . . . . 25.0 112.929 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.7 -45.67 91.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.895 0.771 . . . . 25.0 109.645 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -33.77 76.57 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.453 0.644 . . . . 25.0 110.011 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -66.36 -30.37 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.709 -0.619 . . . . 25.0 111.68 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.23 -34.53 77.85 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 119.477 -0.297 . . . . 25.0 111.349 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -63.71 -34.26 66.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.701 0.762 . . . . 25.0 110.05 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.5 mm -74.66 -31.92 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 121.623 0.725 . . . . 25.0 109.686 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.58 -34.02 41.18 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 114.41 1.263 . . . . 25.0 114.41 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -153.22 -61.0 0.14 Allowed 'General case' 0 N--CA 1.506 2.361 0 CA-C-O 122.49 1.138 . . . . 25.0 113.28 -174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.41 3.205 0 O-C-N 121.283 -0.885 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 2.743 0 N-CA-C 120.445 2.938 . . . . 25.0 120.445 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.25 -44.42 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 112.586 -1.807 . . . . 25.0 109.127 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.54 -45.54 79.1 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 121.638 -0.664 . . . . 25.0 112.013 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 -47.99 57.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 tp -55.83 -42.43 75.75 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 114.999 -1.001 . . . . 25.0 110.569 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.406 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 51.1 t90 -63.5 -40.96 98.44 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-O 121.887 0.851 . . . . 25.0 112.028 -176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -72.05 -30.03 64.76 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 120.251 -1.531 . . . . 25.0 109.441 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -60.67 -45.35 94.46 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 121.474 -0.766 . . . . 25.0 110.793 176.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 7' ' ' TRP . 4.5 pp -71.91 -27.7 63.0 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 121.112 0.482 . . . . 25.0 110.07 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -70.11 -41.5 73.9 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -57.85 -30.83 66.1 Favored 'General case' 0 C--O 1.2 -1.533 0 CA-C-N 115.636 -0.711 . . . . 25.0 112.543 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.5 -41.68 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm -75.36 -37.99 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 109.4 -0.592 . . . . 25.0 109.4 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.98 50.08 1.09 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 118.629 -0.7 . . . . 25.0 111.282 -174.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? 68.53 93.05 0.08 Allowed 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 125.384 2.516 . . . . 25.0 113.76 173.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.492 0 CA-C-N 113.164 -1.835 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.675 0 CA-C-O 123.886 1.826 . . . . 25.0 114.82 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.0 -45.66 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 121.062 -1.258 . . . . 25.0 110.527 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.79 -41.49 97.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.056 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -34.56 78.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 25.0 111.56 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -70.53 -38.1 74.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 25.0 109.753 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -40.62 90.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.292 0.567 . . . . 25.0 109.556 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.5 t90 -63.49 -49.0 75.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.961 -0.462 . . . . 25.0 111.158 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -68.63 -21.64 64.46 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.3 -0.875 . . . . 25.0 112.369 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -61.35 -38.21 86.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.578 -0.156 . . . . 25.0 110.578 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.02 -37.04 78.42 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.219 -0.592 . . . . 25.0 110.276 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -64.72 -29.32 70.3 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -56.54 -39.69 73.84 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.658 0.266 . . . . 25.0 110.627 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -67.01 -38.77 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.256 0.551 . . . . 25.0 110.261 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.8 mm -69.6 -38.67 77.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.664 -0.698 . . . . 25.0 110.247 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.29 82.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.6 mttm 81.09 84.62 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 127.872 2.469 . . . . 25.0 110.01 -178.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.412 3.289 0 CA-C-N 113.317 -1.765 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.821 0 CA-C-O 124.853 2.363 . . . . 25.0 113.552 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.68 -45.22 99.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 113.159 -1.521 . . . . 25.0 109.85 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.16 -32.82 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.342 0.592 . . . . 25.0 111.537 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -42.86 87.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 25.0 111.296 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -75.06 -25.56 58.72 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.004 -0.678 . . . . 25.0 112.809 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.15 -41.84 85.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.231 -1.026 . . . . 25.0 108.231 170.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -66.65 -41.29 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.157 -0.929 . . . . 25.0 110.838 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -71.35 -27.96 63.72 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 120.926 -1.109 . . . . 25.0 110.511 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.94 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.95 -31.24 68.87 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.474 -0.49 . . . . 25.0 111.227 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -69.29 -32.16 71.14 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.733 -0.604 . . . . 25.0 111.067 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.15 -30.35 71.27 Favored 'General case' 0 C--O 1.209 -1.053 0 O-C-N 122.172 -0.33 . . . . 25.0 111.239 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.14 -37.79 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mm -79.02 -37.58 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.267 0.556 . . . . 25.0 111.155 178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.88 -24.04 59.67 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -175.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 85.87 107.91 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 128.995 2.918 . . . . 25.0 112.386 -175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.42 3.655 0 CA-C-N 113.952 -1.476 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 CA-C-O 123.834 1.797 . . . . 25.0 116.048 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 pt -64.98 -25.18 37.1 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.001 0 O-C-N 120.858 -1.377 . . . . 25.0 111.491 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.73 -34.7 72.17 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.33 -0.856 . . . . 25.0 109.139 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -64.86 -32.82 74.7 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 123.56 0.538 . . . . 25.0 111.321 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -68.95 -39.86 79.27 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.314 0.578 . . . . 25.0 109.758 177.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.2 mt -66.74 -44.35 81.73 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 119.075 -0.488 . . . . 25.0 109.782 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -57.7 -50.77 72.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.31 0.381 . . . . 25.0 111.639 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -63.87 -23.02 67.19 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.363 -0.836 . . . . 25.0 112.466 -174.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -67.99 -29.35 68.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 119.123 0.874 . . . . 25.0 110.345 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -38.89 79.39 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -68.51 -29.73 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.595 0.712 . . . . 25.0 110.545 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -59.89 -30.45 69.03 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.494 -0.754 . . . . 25.0 112.849 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.91 -37.04 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-O 121.634 0.73 . . . . 25.0 109.609 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.8 mm -77.32 -37.21 25.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.299 -0.864 . . . . 25.0 110.422 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.14 72.32 10.42 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -133.14 -63.5 0.76 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.131 1.372 . . . . 25.0 113.186 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.424 3.838 0 O-C-N 121.749 -0.594 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.677 0 CA-C-O 123.915 1.842 . . . . 25.0 115.384 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.3 pt -64.99 -19.67 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 120.363 -1.669 . . . . 25.0 112.482 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.17 -35.23 79.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -65.44 -33.99 77.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 25.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -71.93 -38.99 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.253 0.549 . . . . 25.0 109.943 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.11 -42.02 97.02 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.496 0.665 . . . . 25.0 109.652 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -64.62 -49.05 72.59 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 114.983 -1.008 . . . . 25.0 110.984 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.91 -22.53 65.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.956 -1.09 . . . . 25.0 111.896 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -60.94 -46.41 90.8 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 121.864 -0.522 . . . . 25.0 110.232 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.89 -38.59 83.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.92 0.39 . . . . 25.0 110.292 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -63.78 -31.85 73.16 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.561 -0.712 . . . . 25.0 111.397 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -66.36 -33.62 76.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.9 mt -70.03 -37.3 72.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.8 mm -67.52 -32.6 57.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.035 -0.529 . . . . 25.0 111.352 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.01 99.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 115.627 1.714 . . . . 25.0 115.627 -173.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 174.17 -34.45 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.09 0 C-N-CA 126.636 1.975 . . . . 25.0 114.577 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.425 3.888 0 CA-C-N 115.776 -0.647 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.829 0 CA-C-O 127.601 3.889 . . . . 25.0 112.22 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.5 mt -67.09 -47.95 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 112.117 -2.041 . . . . 25.0 108.603 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -43.06 96.75 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 25.0 111.075 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -35.03 78.96 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 123.933 0.893 . . . . 25.0 111.971 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -70.21 -40.61 74.46 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.82 -0.752 . . . . 25.0 110.715 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.09 -35.6 80.94 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.486 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -62.74 -46.85 86.14 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.678 0.752 . . . . 25.0 111.329 178.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -69.64 -33.3 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.893 -1.13 . . . . 25.0 108.583 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -63.79 -35.9 82.12 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 119.396 -0.335 . . . . 25.0 111.201 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -39.99 87.79 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.621 0.724 . . . . 25.0 109.355 177.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -65.23 -34.48 78.46 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.538 -0.726 . . . . 25.0 111.037 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.64 -40.76 97.69 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.481 -0.327 . . . . 25.0 110.715 175.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.24 -37.03 78.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 CA-C-O 121.392 0.615 . . . . 25.0 110.568 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.3 mm -73.27 -34.53 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-O 121.478 0.656 . . . . 25.0 110.698 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.22 -53.01 8.87 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.33 -67.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.318 1.847 . . . . 25.0 112.833 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.189 0 O-C-N 120.21 -1.557 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.951 0 CA-C-O 125.092 2.496 . . . . 25.0 111.083 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.08 -39.32 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 CA-C-N 112.094 -2.053 . . . . 25.0 106.909 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -39.73 78.06 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 121.458 0.647 . . . . 25.0 112.238 173.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.6 t -63.05 -36.39 83.42 Favored 'General case' 0 C--O 1.259 1.558 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 -176.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -72.22 -40.29 67.92 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-O 116.644 -1.645 . . . . 25.0 113.432 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.99 -34.65 78.01 Favored 'General case' 0 C--O 1.258 1.502 0 CA-C-N 120.912 1.687 . . . . 25.0 113.02 174.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -63.53 -48.94 75.48 Favored 'General case' 0 C--O 1.268 2.032 0 CA-C-N 114.23 -1.35 . . . . 25.0 110.897 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -72.86 -27.18 61.77 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 113.793 1.034 . . . . 25.0 113.793 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -65.28 -42.93 92.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.152 -0.685 . . . . 25.0 109.152 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.98 -20.63 59.58 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -67.48 -31.1 71.01 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.75 -33.35 71.55 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 114.095 1.146 . . . . 25.0 114.095 174.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.65 -30.67 29.84 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.1 mt -76.84 -42.66 33.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 O-C-N 120.416 -1.428 . . . . 25.0 112.786 178.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.42 53.54 1.7 Allowed 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.364 1.04 . . . . 25.0 111.677 -176.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt 77.02 100.8 0.07 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 127.241 2.216 . . . . 25.0 112.598 178.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.388 2.244 0 CA-C-N 115.628 -0.715 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.753 0 CA-C-O 124.667 2.259 . . . . 25.0 111.321 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.2 pt -64.68 -33.99 66.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 CA-C-N 112.932 -1.634 . . . . 25.0 113.077 177.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.96 -36.04 69.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 O-C-N 119.939 -1.726 . . . . 25.0 108.978 172.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -67.94 -31.27 70.9 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.855 -1.153 . . . . 25.0 109.142 -175.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -70.75 -44.56 66.5 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.412 178.066 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.07 -36.17 80.85 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 121.634 0.73 . . . . 25.0 111.268 177.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -69.21 -46.14 68.13 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.263 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -68.82 -25.09 64.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.662 -1.274 . . . . 25.0 110.805 178.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -63.21 -42.22 99.26 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.414 -0.914 . . . . 25.0 109.009 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.11 -37.68 81.43 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.76 0.791 . . . . 25.0 110.94 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.56 -33.9 77.0 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -33.54 76.24 Favored 'General case' 0 C--O 1.193 -1.881 0 CA-C-O 118.468 -0.777 . . . . 25.0 112.535 177.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -56.12 -38.14 52.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 113.82 1.045 . . . . 25.0 113.82 174.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.1 mm -83.42 -32.34 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-O 122.29 1.043 . . . . 25.0 111.272 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.82 95.37 Favored 'General case' 0 C--O 1.202 -1.447 0 CA-C-N 113.845 -1.525 . . . . 25.0 111.402 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -151.43 -80.15 0.11 Allowed 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 126.466 1.906 . . . . 25.0 110.474 -170.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.514 0 O-C-N 121.803 -0.561 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.871 0 CA-C-O 125.405 2.669 . . . . 25.0 116.117 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.0 mt -62.96 -44.3 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 120.694 -1.474 . . . . 25.0 111.041 -172.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.83 -22.03 60.87 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.265 -0.897 . . . . 25.0 111.872 178.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -67.75 -30.08 69.47 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 121.21 -0.931 . . . . 25.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -69.41 -39.55 77.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.326 1.06 . . . . 25.0 109.02 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.62 -40.62 80.3 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 115.233 -0.894 . . . . 25.0 108.888 179.012 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -60.58 -48.44 81.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.482 -178.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -30.05 68.34 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.937 -1.102 . . . . 25.0 111.013 178.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.32 -46.47 83.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.86 0.3 . . . . 25.0 110.923 178.399 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.32 -28.88 64.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 118.502 0.592 . . . . 25.0 110.815 -178.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -66.81 -35.16 79.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.592 -0.277 . . . . 25.0 110.634 179.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -64.21 -32.71 74.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.535 0.568 . . . . 25.0 112.535 179.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mm -69.81 -38.88 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 -175.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.02 -34.79 73.01 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 O-C-N 124.038 0.837 . . . . 25.0 109.515 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.79 -47.11 55.71 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -177.249 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -167.74 -52.48 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 115.191 1.552 . . . . 25.0 115.191 -170.808 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.445 4.721 0 CA-C-N 114.802 -1.09 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.06 0 CA-C-O 124.48 2.155 . . . . 25.0 116.442 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.5 mt -74.85 -41.75 46.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 113.728 -1.236 . . . . 25.0 111.415 -174.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.72 -31.42 69.6 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.491 -0.756 . . . . 25.0 110.929 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -59.16 -34.17 71.77 Favored 'General case' 0 C--O 1.246 0.896 0 O-C-N 124.265 0.978 . . . . 25.0 113.468 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -61.14 -51.45 69.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 123.822 0.702 . . . . 25.0 109.355 178.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.7 -41.19 98.16 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -177.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -61.48 -47.49 85.43 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.204 -0.907 . . . . 25.0 110.864 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -66.24 -25.99 67.15 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.073 -1.017 . . . . 25.0 112.592 178.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -62.59 -43.81 97.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 119.095 -0.479 . . . . 25.0 110.199 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -30.71 65.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 119.668 -0.813 . . . . 25.0 110.212 177.215 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -64.07 -26.29 68.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 119.017 -0.516 . . . . 25.0 112.367 176.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.566 ' HZ3' ' N ' ' A' ' 101' ' ' NH2 . 4.8 tmtt? -62.97 -37.34 86.72 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 117.833 0.288 . . . . 25.0 110.26 175.109 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -64.36 -35.59 74.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.645 0 CA-C-O 121.698 0.761 . . . . 25.0 110.307 -177.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt -74.94 -32.58 27.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-N 115.499 -0.773 . . . . 25.0 109.979 178.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.58 -47.32 41.45 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -172.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -174.84 35.2 0.01 OUTLIER 'General case' 0 N--CA 1.532 3.629 0 C-N-CA 126.768 2.027 . . . . 25.0 112.501 -175.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . 0.566 ' N ' ' HZ3' ' A' ' 12' ' ' LYS . . . . . . . . 0 C--N 1.423 3.804 0 O-C-N 120.586 -1.321 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.982 0 CA-C-O 123.376 1.542 . . . . 25.0 116.057 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.09 -35.02 62.61 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-O 122.113 0.958 . . . . 25.0 110.791 178.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.9 -40.15 95.84 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.207 -0.906 . . . . 25.0 109.911 178.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -65.67 -30.92 71.68 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -68.36 -42.45 79.16 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.19 -42.54 99.37 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.439 0.637 . . . . 25.0 109.911 178.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -60.19 -49.63 76.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.155 -178.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -73.39 -27.63 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.712 -1.242 . . . . 25.0 112.126 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -57.09 -49.14 76.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 120.917 -0.313 . . . . 25.0 110.703 173.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.98 -26.82 63.31 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.783 -0.573 . . . . 25.0 111.405 -178.363 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -70.28 -21.52 62.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 25.0 112.432 178.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.75 -31.15 66.2 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-O 120.883 0.373 . . . . 25.0 111.851 176.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.64 -28.7 42.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 CA-C-O 121.401 0.62 . . . . 25.0 109.929 -178.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.2 mm -89.29 -32.36 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.126 0.488 . . . . 25.0 110.588 178.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.31 80.0 9.22 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 -176.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 75.98 79.98 0.1 Allowed 'General case' 0 N--CA 1.503 2.208 0 CA-C-O 125.129 2.395 . . . . 25.0 112.034 176.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.598 0 CA-C-N 112.754 -2.021 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.278 0 CA-C-O 123.315 1.508 . . . . 25.0 113.599 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.6 mm -62.59 -38.79 82.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 O-C-N 120.661 -1.493 . . . . 25.0 114.483 -176.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.04 -33.07 74.92 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 120.948 -1.095 . . . . 25.0 109.92 176.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -31.04 69.66 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.823 0.344 . . . . 25.0 110.55 -176.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -63.14 -52.95 60.45 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.605 0.717 . . . . 25.0 110.871 175.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.85 -45.37 78.46 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.05 0.94 . . . . 25.0 112.16 175.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.78 -48.06 83.2 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 114.097 -1.41 . . . . 25.0 112.407 178.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -69.69 -21.14 63.53 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 120.198 -1.564 . . . . 25.0 113.472 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -36.74 82.61 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -30.92 40.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.42 -23.45 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.203 -0.936 . . . . 25.0 110.175 177.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.59 -37.78 82.48 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.489 0.493 . . . . 25.0 112.323 174.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.07 -36.68 77.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-O 121.591 0.71 . . . . 25.0 109.856 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.8 mm -76.33 -41.45 36.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.14 62.59 6.7 Favored 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 123.271 0.628 . . . . 25.0 112.231 -177.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 68.09 0.91 Allowed 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 125.627 2.632 . . . . 25.0 112.075 177.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.427 3.941 0 CA-C-N 113.812 -1.54 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.724 0 CA-C-O 124.818 2.343 . . . . 25.0 113.02 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.5 pt -63.54 -17.61 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 112.823 -1.688 . . . . 25.0 112.595 -178.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.62 -34.84 76.35 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 176.371 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -36.33 82.89 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.634 -0.257 . . . . 25.0 110.622 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -64.64 -42.32 95.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.029 0.442 . . . . 25.0 110.52 178.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.2 -41.37 98.3 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.657 0.742 . . . . 25.0 109.565 177.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -67.63 -42.85 81.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.493 -179.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.23 -25.83 64.5 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.114 -0.991 . . . . 25.0 110.861 -178.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -59.6 -37.24 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -42.86 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.213 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -61.4 -38.97 89.01 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.165 -0.335 . . . . 25.0 111.324 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -30.19 71.21 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 112.63 0.604 . . . . 25.0 112.63 -178.251 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.49 -37.1 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.17 -41.38 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.363 0.602 . . . . 25.0 109.913 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.31 73.83 1.37 Allowed 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 177.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -114.12 -43.85 3.19 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.68 1.992 . . . . 25.0 112.778 -175.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.408 3.147 0 CA-C-N 115.818 -0.628 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.702 0 CA-C-O 124.74 2.3 . . . . 25.0 113.136 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.6 pt -63.24 -29.79 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 112.801 -1.7 . . . . 25.0 111.38 -179.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.44 -36.31 73.89 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 177.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 t -65.78 -36.43 83.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 178.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -65.78 -40.97 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.963 -0.295 . . . . 25.0 110.76 176.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.45 -43.22 91.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 122.012 0.911 . . . . 25.0 109.176 178.161 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -62.76 -42.0 99.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.561 -0.745 . . . . 25.0 110.203 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -67.1 -35.28 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.324 -0.86 . . . . 25.0 110.067 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.26 -38.25 86.04 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 111.524 0.194 . . . . 25.0 111.524 177.37 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.1 -33.34 44.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.249 -0.58 . . . . 25.0 111.826 176.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.74 -30.55 70.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.745 0.307 . . . . 25.0 110.861 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -55.75 -35.36 66.1 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.084 0.401 . . . . 25.0 112.084 176.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.38 -40.09 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.149 0.5 . . . . 25.0 110.181 -178.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -76.64 -32.89 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.393 0.615 . . . . 25.0 110.036 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.72 -49.83 64.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -177.56 124.17 0.13 Allowed 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 126.386 1.875 . . . . 25.0 110.977 -177.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.403 2.893 0 CA-C-N 115.327 -0.851 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 CA-C-O 124.8 2.334 . . . . 25.0 113.048 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 pt -64.75 -16.95 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 112.14 -2.03 . . . . 25.0 111.995 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.45 -29.43 70.51 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.198 176.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.2 p -64.03 -33.45 75.76 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.654 -0.419 . . . . 25.0 111.855 178.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -70.86 -39.47 72.9 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 179.155 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.44 -43.26 94.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.632 0.73 . . . . 25.0 109.234 176.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.95 -46.66 86.71 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.282 -177.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -69.14 -25.58 64.46 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.037 -0.665 . . . . 25.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -68.78 -37.35 79.25 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.373 -0.931 . . . . 25.0 110.738 173.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -38.88 85.51 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 176.481 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.43 -35.64 79.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.123 -0.361 . . . . 25.0 110.848 178.077 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.83 -32.93 74.6 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.1 -37.11 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 177.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 mm -74.38 -38.64 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 179.226 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.55 68.86 1.6 Allowed 'General case' 0 C--O 1.256 1.441 0 N-CA-C 113.789 1.033 . . . . 25.0 113.789 178.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm 74.57 94.4 0.07 Allowed 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 128.084 2.553 . . . . 25.0 112.733 176.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.406 3.038 0 CA-C-N 113.773 -1.558 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.741 0 CA-C-O 124.063 1.924 . . . . 25.0 113.013 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 pt -71.15 -27.05 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 113.889 -1.156 . . . . 25.0 110.064 -177.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.01 -43.69 82.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 176.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -31.81 72.98 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.541 178.514 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -69.44 -43.87 72.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.966 0.889 . . . . 25.0 110.691 177.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.9 -45.8 92.15 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 178.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -60.08 -46.98 87.76 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.549 0.69 . . . . 25.0 111.519 178.597 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.5 -32.76 73.8 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 119.899 -1.751 . . . . 25.0 110.908 -176.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.6 -45.32 92.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.886 0.767 . . . . 25.0 112.181 177.198 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.22 -26.18 64.68 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.212 -0.93 . . . . 25.0 110.056 179.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -69.07 -31.8 70.81 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.165 -0.334 . . . . 25.0 111.068 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -57.85 -41.87 83.26 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.999 -0.438 . . . . 25.0 111.441 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mt -63.53 -38.57 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.619 -173.111 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt -77.58 -34.61 20.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 CA-C-O 121.284 0.564 . . . . 25.0 111.617 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.12 -48.27 44.99 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.882 1.438 . . . . 25.0 114.882 -172.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -165.79 -63.19 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 122.786 1.279 . . . . 25.0 113.472 -173.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.714 0 CA-C-N 114.877 -1.056 . . . . 25.0 . . . . . . . . . . 0 0 . 1 stop_ save_