data_1lvz_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 1lvz _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.78 -49.87 55.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.804 -1.185 . . . . 0.0 108.344 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 8' ' ' SER . 95.5 mt -64.99 -40.56 95.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.269 -0.894 . . . . 0.0 108.821 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.66 -35.96 55.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.142 -0.973 . . . . 0.0 108.679 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -70.29 -43.03 71.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.535 -0.728 . . . . 0.0 109.302 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.472 ' HG ' ' N ' ' A' ' 9' ' ' GLY . 96.9 p -54.97 -34.38 63.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.073 -1.017 . . . . 0.0 109.124 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 8' ' ' SER . . . 80.54 -4.35 69.13 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.96 13.0 9.88 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.042 -1.269 . . . . 0.0 108.635 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.204 -179.252 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.684 0.754 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -69.28 -45.82 68.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.561 -0.712 . . . . 0.0 109.921 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.12 -35.66 79.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.006 -1.058 . . . . 0.0 109.559 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -63.99 -40.92 97.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.174 -0.954 . . . . 0.0 109.201 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.48 -36.44 83.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 108.898 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -64.3 -33.27 75.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.076 -1.015 . . . . 0.0 108.97 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.96 77.21 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -87.56 8.81 23.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -1.133 . . . . 0.0 107.964 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.355 -179.508 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.581 0.705 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.28 -48.28 51.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.725 -0.609 . . . . 0.0 109.66 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 mt -55.15 -41.55 71.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.136 -0.977 . . . . 0.0 109.088 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -69.13 -43.01 75.26 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.391 -0.818 . . . . 0.0 109.829 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.69 -31.4 69.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.153 -0.967 . . . . 0.0 108.707 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.5 0.12 89.85 Favored Glycine 0 N--CA 1.495 2.568 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.573 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.4 9.52 20.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.941 -1.329 . . . . 0.0 108.293 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.059 -179.646 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -68.04 -46.23 71.73 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.77 -37.11 86.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -56.08 -37.47 69.37 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -66.99 -48.64 67.84 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.8 p -53.19 -33.81 54.28 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.19 -0.944 . . . . 0.0 109.034 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.5 0.73 87.78 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.395 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.11 17.37 8.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.161 -1.199 . . . . 0.0 108.639 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.356 -179.225 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -72.11 -52.49 16.49 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.48 -40.78 83.68 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.67 -36.45 67.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.34 0.59 . . . . 0.0 109.657 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -67.82 -40.54 83.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.395 -0.815 . . . . 0.0 109.188 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -64.31 -35.84 82.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.119 -0.988 . . . . 0.0 108.897 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.52 -0.07 88.46 Favored Glycine 0 N--CA 1.495 2.578 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.911 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.1 mt -88.84 15.49 8.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.929 -1.336 . . . . 0.0 108.668 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.222 -179.504 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -63.11 -40.31 97.25 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.11 -42.49 99.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.38 -0.825 . . . . 0.0 108.808 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -52.93 -36.36 59.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.0 108.684 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -37.78 75.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.012 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 p -62.22 -36.02 80.68 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.113 -0.992 . . . . 0.0 109.029 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.05 -0.33 88.72 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 119.882 -1.152 . . . . 0.0 110.463 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.9 mt -89.47 15.13 9.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.917 -1.343 . . . . 0.0 108.795 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 118.109 -0.948 . . . . 0.0 109.389 -179.545 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.01 -42.62 97.1 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.29 -40.78 96.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -52.03 -35.71 47.9 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.415 -0.803 . . . . 0.0 108.867 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -66.75 -45.41 78.67 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 p -50.77 -32.06 18.72 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.154 -0.966 . . . . 0.0 108.851 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.69 -2.12 69.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.65 8.83 26.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.304 -1.115 . . . . 0.0 108.279 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.233 -179.363 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.2 pm0 . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.14 -53.72 10.29 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 8' ' ' SER . 56.9 mt -60.16 -35.68 75.88 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -58.57 -38.16 77.27 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 14.2 m-20 -66.15 -36.45 83.15 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.71 ' HG ' ' H ' ' A' ' 10' ' ' LEU . 54.8 p -64.12 -33.85 76.71 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.29 -0.881 . . . . 0.0 108.994 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 8' ' ' SER . . . 78.54 1.52 82.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.71 ' H ' ' HG ' ' A' ' 8' ' ' SER . 28.0 mt -92.26 15.4 13.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.233 -1.157 . . . . 0.0 108.7 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.23 -179.424 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -70.15 -50.68 38.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.668 -1.27 . . . . 0.0 107.783 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.63 -38.94 89.52 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -55.52 -35.98 66.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.248 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.8 -35.0 77.86 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 9' ' ' GLY . 51.4 p -66.5 -35.58 80.61 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.191 -0.943 . . . . 0.0 108.965 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.562 ' N ' ' HG ' ' A' ' 8' ' ' SER . . . 77.72 -1.9 65.71 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.58 13.72 15.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -1.164 . . . . 0.0 108.616 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.309 -179.394 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.45 -50.4 38.71 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 8' ' ' SER . 29.4 mt -60.05 -37.46 79.9 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -57.85 -35.94 71.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.573 -0.704 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.13 -43.62 81.96 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 5' ' ' LEU . 55.5 p -59.86 -32.19 70.47 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.081 -1.012 . . . . 0.0 109.089 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.71 -3.33 60.55 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -88.02 13.94 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -1.165 . . . . 0.0 108.417 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.373 -179.352 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -70.13 -49.74 47.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.786 -1.197 . . . . 0.0 107.914 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 8' ' ' SER . 16.3 mt -59.21 -46.87 87.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.238 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -52.94 -35.29 58.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 109.396 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.83 -45.12 71.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.417 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 5' ' ' LEU . 82.7 p -55.02 -33.6 62.77 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.013 -1.054 . . . . 0.0 109.294 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.63 -4.34 60.7 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.31 13.38 11.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -1.134 . . . . 0.0 108.655 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.422 -179.042 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' OD2' ' A' ' 7' ' ' ASP . 24.2 tt0 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.522 0.677 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -68.83 -47.01 67.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.48 -36.61 61.84 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.694 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.46 -38.45 81.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.225 -0.922 . . . . 0.0 108.938 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 3' ' ' GLU . 49.7 m-20 -67.97 -23.43 65.04 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 0.0 108.833 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 p -77.33 -35.47 54.74 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.24 -0.913 . . . . 0.0 108.644 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.31 0.32 82.89 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.576 -1.297 . . . . 0.0 109.93 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.74 10.52 25.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -1.177 . . . . 0.0 108.553 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.259 -179.593 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -68.61 -49.37 59.76 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.06 -43.96 97.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -50.73 -34.7 28.09 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.433 -0.792 . . . . 0.0 109.492 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -69.11 -47.18 65.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 0.0 109.183 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -52.34 -34.45 47.42 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.984 -1.072 . . . . 0.0 109.068 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.89 -5.99 56.65 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 mt -87.32 12.16 12.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -1.166 . . . . 0.0 108.572 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.402 -179.49 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 4' ' ' ASN . 11.7 pt-20 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.684 0.755 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 27.6 m-80 -68.45 -47.89 65.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.115 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.54 -41.69 70.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.366 -0.834 . . . . 0.0 109.535 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -63.24 -36.66 84.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.032 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 1.5 m-20 -67.28 -51.02 57.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.581 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 p -53.86 -36.14 62.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.083 -1.011 . . . . 0.0 109.459 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 0.65 85.2 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.497 -1.335 . . . . 0.0 110.373 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 mt -84.62 11.12 9.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.89 -1.359 . . . . 0.0 107.813 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.175 -179.353 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.81 -52.18 32.94 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 8' ' ' SER . 93.5 mt -60.84 -39.41 88.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -52.29 -36.07 52.01 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.49 -0.756 . . . . 0.0 109.037 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -69.93 -33.95 72.83 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 10' ' ' LEU . 56.4 p -65.58 -35.92 82.24 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.095 -1.003 . . . . 0.0 108.563 178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.471 ' N ' ' HG ' ' A' ' 8' ' ' SER . . . 77.34 -7.04 40.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.53 ' H ' ' HG ' ' A' ' 8' ' ' SER . 69.8 mt -86.51 17.22 3.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.064 -1.257 . . . . 0.0 108.787 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.065 -179.62 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -49.91 54.09 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.86 -38.36 87.96 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -53.01 -35.92 59.92 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 109.405 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -69.99 -41.09 74.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.369 -0.832 . . . . 0.0 109.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m -58.06 -37.37 74.29 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.781 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.38 90.67 Favored Glycine 0 N--CA 1.496 2.659 0 C-N-CA 119.952 -1.118 . . . . 0.0 110.61 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 mt -92.87 10.09 32.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.024 -1.28 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.407 -179.819 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -69.63 -52.99 20.97 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.44 -36.46 84.24 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -56.31 -37.64 70.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.4 -0.812 . . . . 0.0 109.101 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.08 -46.17 71.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.305 -0.872 . . . . 0.0 108.85 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -52.42 -37.5 56.82 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.865 -1.147 . . . . 0.0 109.265 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.48 3.26 90.02 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.719 -1.229 . . . . 0.0 111.062 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.22 2.65 42.89 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.879 -1.365 . . . . 0.0 108.118 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.165 -179.589 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -69.66 -50.39 44.45 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.16 -37.37 84.95 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.39 -35.41 65.3 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.604 0.716 . . . . 0.0 109.498 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.97 -46.96 73.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.386 -0.821 . . . . 0.0 108.93 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -57.39 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.226 -0.989 . . . . 0.0 109.039 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.94 0.5 88.69 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.05 -1.071 . . . . 0.0 110.735 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -89.53 12.9 15.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.932 -1.334 . . . . 0.0 108.865 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.087 -179.711 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.53 -50.65 57.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.806 -1.184 . . . . 0.0 107.808 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.71 -38.03 83.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -54.52 -36.38 64.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.792 . . . . 0.0 109.074 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.7 -43.23 76.46 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -56.47 -37.85 70.89 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.095 -1.003 . . . . 0.0 109.063 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.77 88.52 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 119.802 -1.189 . . . . 0.0 110.515 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -89.88 10.71 22.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.991 -1.3 . . . . 0.0 108.677 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.118 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 120.908 0.385 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.96 -44.95 83.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 108.201 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.77 -44.14 94.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.098 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -51.54 -36.67 46.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 108.814 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.79 -45.13 79.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.413 -0.804 . . . . 0.0 108.902 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.0 m -51.48 -34.23 34.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.102 -0.999 . . . . 0.0 108.803 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.32 1.3 90.39 Favored Glycine 0 N--CA 1.494 2.527 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.678 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 mt -89.86 15.69 9.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.986 -1.302 . . . . 0.0 108.517 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.127 -179.59 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.985 0.898 . . . . 0.0 108.796 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -47.48 -28.13 2.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.464 -0.773 . . . . 0.0 110.768 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.41 -30.53 63.31 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.995 -1.066 . . . . 0.0 109.375 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.78 -49.87 55.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.804 -1.185 . . . . 0.0 108.344 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 8' ' ' SER . 95.5 mt -64.99 -40.56 95.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.269 -0.894 . . . . 0.0 108.821 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.66 -35.96 55.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.142 -0.973 . . . . 0.0 108.679 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -70.29 -43.03 71.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.535 -0.728 . . . . 0.0 109.302 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.472 ' HG ' ' N ' ' A' ' 9' ' ' GLY . 96.9 p -54.97 -34.38 63.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.073 -1.017 . . . . 0.0 109.124 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 8' ' ' SER . . . 80.54 -4.35 69.13 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.96 13.0 9.88 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.042 -1.269 . . . . 0.0 108.635 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.204 -179.252 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.3 tt . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.713 0.768 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -51.36 -32.21 24.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.21 -0.931 . . . . 0.0 108.724 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -45.81 -53.95 8.81 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.684 0.754 . . . . 0.0 109.691 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -69.28 -45.82 68.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.561 -0.712 . . . . 0.0 109.921 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.12 -35.66 79.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.006 -1.058 . . . . 0.0 109.559 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -63.99 -40.92 97.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.174 -0.954 . . . . 0.0 109.201 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.48 -36.44 83.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 108.898 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -64.3 -33.27 75.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.076 -1.015 . . . . 0.0 108.97 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.96 77.21 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -87.56 8.81 23.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -1.133 . . . . 0.0 107.964 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.355 -179.508 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.965 0.888 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -53.22 -29.95 35.14 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.107 -0.995 . . . . 0.0 108.493 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -44.17 -54.48 5.58 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.581 0.705 . . . . 0.0 109.357 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.28 -48.28 51.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.725 -0.609 . . . . 0.0 109.66 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 mt -55.15 -41.55 71.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.136 -0.977 . . . . 0.0 109.088 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -69.13 -43.01 75.26 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.391 -0.818 . . . . 0.0 109.829 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.69 -31.4 69.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.153 -0.967 . . . . 0.0 108.707 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.5 0.12 89.85 Favored Glycine 0 N--CA 1.495 2.568 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.573 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.4 9.52 20.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.941 -1.329 . . . . 0.0 108.293 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.059 -179.646 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.435 ' H3 ' ' H ' ' A' ' 2' ' ' ARG . 10.5 tt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.435 ' H ' ' H3 ' ' A' ' 1' ' ' ILE . 20.0 mmm180 -45.34 -28.22 0.8 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.505 -0.747 . . . . 0.0 110.524 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -71.7 -33.15 68.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.841 -1.162 . . . . 0.0 108.98 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 1' ' ' ILE . 4.4 m120 -68.04 -46.23 71.73 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.77 -37.11 86.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -56.08 -37.47 69.37 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -66.99 -48.64 67.84 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.8 p -53.19 -33.81 54.28 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.19 -0.944 . . . . 0.0 109.034 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.5 0.73 87.78 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.395 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.11 17.37 8.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.161 -1.199 . . . . 0.0 108.639 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.356 -179.225 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 4' ' ' ASN . 8.8 mt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -46.81 -34.66 5.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.299 -0.876 . . . . 0.0 110.202 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' H ' HG23 ' A' ' 1' ' ' ILE . 73.4 tt0 -79.04 -19.9 50.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.028 -1.045 . . . . 0.0 108.475 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 1' ' ' ILE . 19.1 t-20 -72.11 -52.49 16.49 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.48 -40.78 83.68 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.67 -36.45 67.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.34 0.59 . . . . 0.0 109.657 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -67.82 -40.54 83.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.395 -0.815 . . . . 0.0 109.188 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -64.31 -35.84 82.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.119 -0.988 . . . . 0.0 108.897 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.52 -0.07 88.46 Favored Glycine 0 N--CA 1.495 2.578 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.911 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.1 mt -88.84 15.49 8.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.929 -1.336 . . . . 0.0 108.668 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.222 -179.504 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -62.54 -35.82 80.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.123 -0.986 . . . . 0.0 110.58 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.51 -29.13 65.55 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.935 -1.103 . . . . 0.0 108.594 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -63.11 -40.31 97.25 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.11 -42.49 99.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.38 -0.825 . . . . 0.0 108.808 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -52.93 -36.36 59.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.0 108.684 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -37.78 75.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.012 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 p -62.22 -36.02 80.68 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.113 -0.992 . . . . 0.0 109.029 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.05 -0.33 88.72 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 119.882 -1.152 . . . . 0.0 110.463 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.9 mt -89.47 15.13 9.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.917 -1.343 . . . . 0.0 108.795 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 118.109 -0.948 . . . . 0.0 109.389 -179.545 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.483 ' H1 ' HD21 ' A' ' 4' ' ' ASN . 4.2 pt . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -53.28 -17.52 1.83 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.108 -0.995 . . . . 0.0 108.463 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -78.82 -30.81 45.52 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.483 HD21 ' H1 ' ' A' ' 1' ' ' ILE . 4.8 m-80 -64.01 -42.62 97.1 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.29 -40.78 96.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -52.03 -35.71 47.9 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.415 -0.803 . . . . 0.0 108.867 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -66.75 -45.41 78.67 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 p -50.77 -32.06 18.72 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.154 -0.966 . . . . 0.0 108.851 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.69 -2.12 69.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.65 8.83 26.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.304 -1.115 . . . . 0.0 108.279 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.233 -179.363 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 11.8 pt . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.155 0.502 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -56.75 -30.58 63.71 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.138 -0.976 . . . . 0.0 110.889 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.2 pm0 -78.24 -19.16 54.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.806 -1.183 . . . . 0.0 109.087 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.14 -53.72 10.29 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 8' ' ' SER . 56.9 mt -60.16 -35.68 75.88 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -58.57 -38.16 77.27 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 14.2 m-20 -66.15 -36.45 83.15 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.71 ' HG ' ' H ' ' A' ' 10' ' ' LEU . 54.8 p -64.12 -33.85 76.71 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.29 -0.881 . . . . 0.0 108.994 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 8' ' ' SER . . . 78.54 1.52 82.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.71 ' H ' ' HG ' ' A' ' 8' ' ' SER . 28.0 mt -92.26 15.4 13.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.233 -1.157 . . . . 0.0 108.7 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.23 -179.424 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.4 HG23 ' H ' ' A' ' 3' ' ' GLU . 3.3 mt . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -57.66 -37.49 73.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.347 -0.846 . . . . 0.0 110.556 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.4 ' H ' HG23 ' A' ' 1' ' ' ILE . 21.4 tt0 -81.68 -25.13 35.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.067 -1.021 . . . . 0.0 109.89 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -70.15 -50.68 38.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.668 -1.27 . . . . 0.0 107.783 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.63 -38.94 89.52 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -55.52 -35.98 66.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.248 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.8 -35.0 77.86 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 9' ' ' GLY . 51.4 p -66.5 -35.58 80.61 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.191 -0.943 . . . . 0.0 108.965 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.562 ' N ' ' HG ' ' A' ' 8' ' ' SER . . . 77.72 -1.9 65.71 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.58 13.72 15.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -1.164 . . . . 0.0 108.616 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.309 -179.394 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -68.42 -19.11 64.57 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.79 -25.31 40.96 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.45 -50.4 38.71 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 8' ' ' SER . 29.4 mt -60.05 -37.46 79.9 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -57.85 -35.94 71.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.573 -0.704 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.13 -43.62 81.96 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 5' ' ' LEU . 55.5 p -59.86 -32.19 70.47 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.081 -1.012 . . . . 0.0 109.089 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.71 -3.33 60.55 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -88.02 13.94 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -1.165 . . . . 0.0 108.417 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.373 -179.352 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -51.71 -39.25 58.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.153 -0.967 . . . . 0.0 109.692 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -77.42 -23.39 50.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.131 -0.98 . . . . 0.0 109.244 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -70.13 -49.74 47.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.786 -1.197 . . . . 0.0 107.914 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 8' ' ' SER . 16.3 mt -59.21 -46.87 87.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.238 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -52.94 -35.29 58.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 109.396 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.83 -45.12 71.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.417 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 5' ' ' LEU . 82.7 p -55.02 -33.6 62.77 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.013 -1.054 . . . . 0.0 109.294 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.63 -4.34 60.7 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.31 13.38 11.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -1.134 . . . . 0.0 108.655 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.422 -179.042 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.436 ' H2 ' ' H ' ' A' ' 2' ' ' ARG . 14.0 tt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.68 0.752 . . . . 0.0 109.164 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.534 HH11 ' CG ' ' A' ' 2' ' ' ARG . 3.3 mtt-85 -49.39 -31.96 10.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.112 -0.992 . . . . 0.0 108.575 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' OD2' ' A' ' 7' ' ' ASP . 24.2 tt0 -46.43 -52.41 13.14 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.522 0.677 . . . . 0.0 109.538 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -68.83 -47.01 67.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.48 -36.61 61.84 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.694 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.46 -38.45 81.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.225 -0.922 . . . . 0.0 108.938 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 3' ' ' GLU . 49.7 m-20 -67.97 -23.43 65.04 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 0.0 108.833 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 p -77.33 -35.47 54.74 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.24 -0.913 . . . . 0.0 108.644 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.31 0.32 82.89 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.576 -1.297 . . . . 0.0 109.93 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.74 10.52 25.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -1.177 . . . . 0.0 108.553 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.259 -179.593 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.515 ' H2 ' HD21 ' A' ' 4' ' ' ASN . 34.2 mt . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.764 0.792 . . . . 0.0 108.868 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -63.03 -17.55 62.35 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -84.52 -22.81 30.03 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.515 HD21 ' H2 ' ' A' ' 1' ' ' ILE . 20.4 m-80 -68.61 -49.37 59.76 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.06 -43.96 97.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -50.73 -34.7 28.09 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.433 -0.792 . . . . 0.0 109.492 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -69.11 -47.18 65.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 0.0 109.183 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -52.34 -34.45 47.42 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.984 -1.072 . . . . 0.0 109.068 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.89 -5.99 56.65 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 mt -87.32 12.16 12.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -1.166 . . . . 0.0 108.572 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.402 -179.49 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.435 ' H1 ' ' H ' ' A' ' 2' ' ' ARG . 18.2 tt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.538 ' NE ' ' NZ ' ' A' ' 6' ' ' LYS . 51.2 ttt180 -47.76 -31.15 4.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.118 -0.989 . . . . 0.0 108.59 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 4' ' ' ASN . 11.7 pt-20 -49.85 -48.59 51.03 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.684 0.755 . . . . 0.0 109.349 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 27.6 m-80 -68.45 -47.89 65.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.115 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.54 -41.69 70.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.366 -0.834 . . . . 0.0 109.535 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.538 ' NZ ' ' NE ' ' A' ' 2' ' ' ARG . 26.7 mttp -63.24 -36.66 84.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.032 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 1.5 m-20 -67.28 -51.02 57.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.581 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 p -53.86 -36.14 62.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.083 -1.011 . . . . 0.0 109.459 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 0.65 85.2 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.497 -1.335 . . . . 0.0 110.373 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 mt -84.62 11.12 9.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.89 -1.359 . . . . 0.0 107.813 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.175 -179.353 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 1' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -76.45 -19.7 57.79 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -79.61 -27.52 41.04 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.81 -52.18 32.94 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 8' ' ' SER . 93.5 mt -60.84 -39.41 88.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -52.29 -36.07 52.01 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.49 -0.756 . . . . 0.0 109.037 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -69.93 -33.95 72.83 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 10' ' ' LEU . 56.4 p -65.58 -35.92 82.24 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.095 -1.003 . . . . 0.0 108.563 178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.471 ' N ' ' HG ' ' A' ' 8' ' ' SER . . . 77.34 -7.04 40.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.53 ' H ' ' HG ' ' A' ' 8' ' ' SER . 69.8 mt -86.51 17.22 3.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.064 -1.257 . . . . 0.0 108.787 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.065 -179.62 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 3' ' ' GLU . 2.9 pt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -56.21 -14.11 2.55 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 1' ' ' ILE . 88.1 tt0 -78.79 -26.88 44.42 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -49.91 54.09 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.86 -38.36 87.96 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -53.01 -35.92 59.92 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 109.405 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -69.99 -41.09 74.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.369 -0.832 . . . . 0.0 109.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m -58.06 -37.37 74.29 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.781 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.38 90.67 Favored Glycine 0 N--CA 1.496 2.659 0 C-N-CA 119.952 -1.118 . . . . 0.0 110.61 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 mt -92.87 10.09 32.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.024 -1.28 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.407 -179.819 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.295 0.569 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -60.6 -30.98 70.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.2 -0.938 . . . . 0.0 110.141 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -80.41 -20.4 44.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.092 -1.005 . . . . 0.0 109.172 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -69.63 -52.99 20.97 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.44 -36.46 84.24 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -56.31 -37.64 70.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.4 -0.812 . . . . 0.0 109.101 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.08 -46.17 71.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.305 -0.872 . . . . 0.0 108.85 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -52.42 -37.5 56.82 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.865 -1.147 . . . . 0.0 109.265 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.48 3.26 90.02 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.719 -1.229 . . . . 0.0 111.062 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.22 2.65 42.89 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.879 -1.365 . . . . 0.0 108.118 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.165 -179.589 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 4' ' ' ASN . 3.1 pt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -52.26 -16.79 0.91 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 1' ' ' ILE . 31.1 tp10 -79.77 -26.33 40.71 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 1' ' ' ILE . 6.3 t-20 -69.66 -50.39 44.45 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.16 -37.37 84.95 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.39 -35.41 65.3 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.604 0.716 . . . . 0.0 109.498 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.97 -46.96 73.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.386 -0.821 . . . . 0.0 108.93 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -57.39 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.226 -0.989 . . . . 0.0 109.039 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.94 0.5 88.69 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.05 -1.071 . . . . 0.0 110.735 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -89.53 12.9 15.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.932 -1.334 . . . . 0.0 108.865 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.087 -179.711 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.86 0.838 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.472 HH11 ' CG ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -47.46 -24.41 0.82 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.357 -0.84 . . . . 0.0 110.262 -179.145 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -75.4 -32.7 60.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.768 -1.207 . . . . 0.0 109.392 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.53 -50.65 57.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.806 -1.184 . . . . 0.0 107.808 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.71 -38.03 83.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -54.52 -36.38 64.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.792 . . . . 0.0 109.074 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.7 -43.23 76.46 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -56.47 -37.85 70.89 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.095 -1.003 . . . . 0.0 109.063 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.77 88.52 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 119.802 -1.189 . . . . 0.0 110.515 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -89.88 10.71 22.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.991 -1.3 . . . . 0.0 108.677 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.118 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.421 ' H2 ' ' H ' ' A' ' 2' ' ' ARG . 5.8 pt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.657 0.742 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.421 ' H ' ' H2 ' ' A' ' 1' ' ' ILE . 70.5 mtt180 -58.17 -34.28 70.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 0.0 111.007 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -78.29 -26.22 46.97 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.845 -1.159 . . . . 0.0 110.033 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.96 -44.95 83.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 108.201 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.77 -44.14 94.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.098 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -51.54 -36.67 46.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 108.814 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.79 -45.13 79.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.413 -0.804 . . . . 0.0 108.902 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.0 m -51.48 -34.23 34.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.102 -0.999 . . . . 0.0 108.803 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.32 1.3 90.39 Favored Glycine 0 N--CA 1.494 2.527 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.678 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 mt -89.86 15.69 9.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.986 -1.302 . . . . 0.0 108.517 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.127 -179.59 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.78 -49.87 55.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.804 -1.185 . . . . 0.0 108.344 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.45 HD22 ' CE2' ' A' ' 11' ' ' PHE . 95.5 mt -64.99 -40.56 95.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.269 -0.894 . . . . 0.0 108.821 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.66 -35.96 55.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.142 -0.973 . . . . 0.0 108.679 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -70.29 -43.03 71.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.535 -0.728 . . . . 0.0 109.302 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p -54.97 -34.38 63.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.073 -1.017 . . . . 0.0 109.124 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.54 -4.35 69.13 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.96 13.0 9.88 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.042 -1.269 . . . . 0.0 108.635 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CE2' HD22 ' A' ' 5' ' ' LEU . 61.6 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.204 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.684 0.754 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -69.28 -45.82 68.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.561 -0.712 . . . . 0.0 109.921 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 11' ' ' PHE . 82.3 mt -62.12 -35.66 79.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.006 -1.058 . . . . 0.0 109.559 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -63.99 -40.92 97.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.174 -0.954 . . . . 0.0 109.201 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.48 -36.44 83.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 108.898 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -64.3 -33.27 75.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.076 -1.015 . . . . 0.0 108.97 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.96 77.21 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -87.56 8.81 23.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -1.133 . . . . 0.0 107.964 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.432 ' CE2' HD22 ' A' ' 5' ' ' LEU . 71.6 m-85 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.355 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.581 0.705 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.28 -48.28 51.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.725 -0.609 . . . . 0.0 109.66 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 mt -55.15 -41.55 71.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.136 -0.977 . . . . 0.0 109.088 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -69.13 -43.01 75.26 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.391 -0.818 . . . . 0.0 109.829 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.69 -31.4 69.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.153 -0.967 . . . . 0.0 108.707 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.5 0.12 89.85 Favored Glycine 0 N--CA 1.495 2.568 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.573 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.4 9.52 20.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.941 -1.329 . . . . 0.0 108.293 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.059 -179.646 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -68.04 -46.23 71.73 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.77 -37.11 86.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -56.08 -37.47 69.37 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -66.99 -48.64 67.84 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.8 p -53.19 -33.81 54.28 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.19 -0.944 . . . . 0.0 109.034 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.5 0.73 87.78 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.395 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.11 17.37 8.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.161 -1.199 . . . . 0.0 108.639 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.356 -179.225 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -72.11 -52.49 16.49 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.48 -40.78 83.68 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.67 -36.45 67.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.34 0.59 . . . . 0.0 109.657 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -67.82 -40.54 83.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.395 -0.815 . . . . 0.0 109.188 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -64.31 -35.84 82.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.119 -0.988 . . . . 0.0 108.897 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.52 -0.07 88.46 Favored Glycine 0 N--CA 1.495 2.578 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.911 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.1 mt -88.84 15.49 8.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.929 -1.336 . . . . 0.0 108.668 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.222 -179.504 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -63.11 -40.31 97.25 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.11 -42.49 99.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.38 -0.825 . . . . 0.0 108.808 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -52.93 -36.36 59.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.0 108.684 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -37.78 75.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.012 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 p -62.22 -36.02 80.68 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.113 -0.992 . . . . 0.0 109.029 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.05 -0.33 88.72 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 119.882 -1.152 . . . . 0.0 110.463 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.9 mt -89.47 15.13 9.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.917 -1.343 . . . . 0.0 108.795 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 118.109 -0.948 . . . . 0.0 109.389 -179.545 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.01 -42.62 97.1 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.29 -40.78 96.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -52.03 -35.71 47.9 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.415 -0.803 . . . . 0.0 108.867 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -66.75 -45.41 78.67 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 p -50.77 -32.06 18.72 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.154 -0.966 . . . . 0.0 108.851 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.69 -2.12 69.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.65 8.83 26.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.304 -1.115 . . . . 0.0 108.279 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.233 -179.363 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 7' ' ' ASP . 1.2 pm0 . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.14 -53.72 10.29 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.16 -35.68 75.88 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -58.57 -38.16 77.27 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 14.2 m-20 -66.15 -36.45 83.15 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 p -64.12 -33.85 76.71 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.29 -0.881 . . . . 0.0 108.994 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.52 82.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 mt -92.26 15.4 13.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.233 -1.157 . . . . 0.0 108.7 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.23 -179.424 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -70.15 -50.68 38.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.668 -1.27 . . . . 0.0 107.783 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.63 -38.94 89.52 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -55.52 -35.98 66.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.248 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.8 -35.0 77.86 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.5 -35.58 80.61 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.191 -0.943 . . . . 0.0 108.965 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.72 -1.9 65.71 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.58 13.72 15.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -1.164 . . . . 0.0 108.616 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.309 -179.394 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.45 -50.4 38.71 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -37.46 79.9 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -57.85 -35.94 71.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.573 -0.704 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.13 -43.62 81.96 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -59.86 -32.19 70.47 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.081 -1.012 . . . . 0.0 109.089 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.71 -3.33 60.55 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -88.02 13.94 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -1.165 . . . . 0.0 108.417 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.373 -179.352 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -70.13 -49.74 47.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.786 -1.197 . . . . 0.0 107.914 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.21 -46.87 87.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.238 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -52.94 -35.29 58.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 109.396 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.83 -45.12 71.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.417 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.7 p -55.02 -33.6 62.77 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.013 -1.054 . . . . 0.0 109.294 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.63 -4.34 60.7 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.31 13.38 11.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -1.134 . . . . 0.0 108.655 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.422 -179.042 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' OD2' ' A' ' 7' ' ' ASP . 24.2 tt0 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.522 0.677 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -68.83 -47.01 67.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.48 -36.61 61.84 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.694 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.46 -38.45 81.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.225 -0.922 . . . . 0.0 108.938 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 3' ' ' GLU . 49.7 m-20 -67.97 -23.43 65.04 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 0.0 108.833 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 p -77.33 -35.47 54.74 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.24 -0.913 . . . . 0.0 108.644 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.31 0.32 82.89 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.576 -1.297 . . . . 0.0 109.93 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.74 10.52 25.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -1.177 . . . . 0.0 108.553 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.259 -179.593 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -68.61 -49.37 59.76 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.06 -43.96 97.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -50.73 -34.7 28.09 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.433 -0.792 . . . . 0.0 109.492 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -69.11 -47.18 65.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 0.0 109.183 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -52.34 -34.45 47.42 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.984 -1.072 . . . . 0.0 109.068 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.89 -5.99 56.65 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 mt -87.32 12.16 12.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -1.166 . . . . 0.0 108.572 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.402 -179.49 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 4' ' ' ASN . 11.7 pt-20 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.684 0.755 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 11.5 m120 -68.45 -47.89 65.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.115 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.54 -41.69 70.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.366 -0.834 . . . . 0.0 109.535 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -63.24 -36.66 84.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.032 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 1.5 m-20 -67.28 -51.02 57.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.581 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 p -53.86 -36.14 62.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.083 -1.011 . . . . 0.0 109.459 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 0.65 85.2 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.497 -1.335 . . . . 0.0 110.373 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 mt -84.62 11.12 9.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.89 -1.359 . . . . 0.0 107.813 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.175 -179.353 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.81 -52.18 32.94 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.84 -39.41 88.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -52.29 -36.07 52.01 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.49 -0.756 . . . . 0.0 109.037 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -69.93 -33.95 72.83 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.4 p -65.58 -35.92 82.24 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.095 -1.003 . . . . 0.0 108.563 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.34 -7.04 40.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.51 17.22 3.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.064 -1.257 . . . . 0.0 108.787 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.065 -179.62 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -68.91 -49.91 54.09 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.465 HD22 ' CE1' ' A' ' 11' ' ' PHE . 90.6 mt -61.86 -38.36 87.96 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -53.01 -35.92 59.92 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 109.405 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -69.99 -41.09 74.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.369 -0.832 . . . . 0.0 109.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m -58.06 -37.37 74.29 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.781 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.38 90.67 Favored Glycine 0 N--CA 1.496 2.659 0 C-N-CA 119.952 -1.118 . . . . 0.0 110.61 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 mt -92.87 10.09 32.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.024 -1.28 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CE1' HD22 ' A' ' 5' ' ' LEU . 40.9 m-85 . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.407 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -69.63 -52.99 20.97 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.44 -36.46 84.24 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -56.31 -37.64 70.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.4 -0.812 . . . . 0.0 109.101 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.08 -46.17 71.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.305 -0.872 . . . . 0.0 108.85 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -52.42 -37.5 56.82 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.865 -1.147 . . . . 0.0 109.265 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.48 3.26 90.02 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.719 -1.229 . . . . 0.0 111.062 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.22 2.65 42.89 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.879 -1.365 . . . . 0.0 108.118 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.165 -179.589 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -69.66 -50.39 44.45 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.16 -37.37 84.95 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.39 -35.41 65.3 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.604 0.716 . . . . 0.0 109.498 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.97 -46.96 73.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.386 -0.821 . . . . 0.0 108.93 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -57.39 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.226 -0.989 . . . . 0.0 109.039 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.94 0.5 88.69 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.05 -1.071 . . . . 0.0 110.735 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -89.53 12.9 15.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.932 -1.334 . . . . 0.0 108.865 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.087 -179.711 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.53 -50.65 57.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.806 -1.184 . . . . 0.0 107.808 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.71 -38.03 83.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -54.52 -36.38 64.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.792 . . . . 0.0 109.074 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.7 -43.23 76.46 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -56.47 -37.85 70.89 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.095 -1.003 . . . . 0.0 109.063 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.77 88.52 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 119.802 -1.189 . . . . 0.0 110.515 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -89.88 10.71 22.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.991 -1.3 . . . . 0.0 108.677 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.118 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 120.908 0.385 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.96 -44.95 83.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 108.201 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.77 -44.14 94.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.098 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -51.54 -36.67 46.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 108.814 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.79 -45.13 79.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.413 -0.804 . . . . 0.0 108.902 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.0 m -51.48 -34.23 34.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.102 -0.999 . . . . 0.0 108.803 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.32 1.3 90.39 Favored Glycine 0 N--CA 1.494 2.527 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.678 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 mt -89.86 15.69 9.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.986 -1.302 . . . . 0.0 108.517 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.127 -179.59 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.985 0.898 . . . . 0.0 108.796 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -47.48 -28.13 2.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.464 -0.773 . . . . 0.0 110.768 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.41 -30.53 63.31 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.995 -1.066 . . . . 0.0 109.375 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.78 -49.87 55.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.804 -1.185 . . . . 0.0 108.344 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.45 HD22 ' CE2' ' A' ' 11' ' ' PHE . 95.5 mt -64.99 -40.56 95.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.269 -0.894 . . . . 0.0 108.821 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.66 -35.96 55.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.142 -0.973 . . . . 0.0 108.679 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -70.29 -43.03 71.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.535 -0.728 . . . . 0.0 109.302 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p -54.97 -34.38 63.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.073 -1.017 . . . . 0.0 109.124 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.54 -4.35 69.13 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.96 13.0 9.88 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.042 -1.269 . . . . 0.0 108.635 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CE2' HD22 ' A' ' 5' ' ' LEU . 61.6 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.204 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.3 tt . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.713 0.768 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -51.36 -32.21 24.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.21 -0.931 . . . . 0.0 108.724 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -45.81 -53.95 8.81 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.684 0.754 . . . . 0.0 109.691 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -69.28 -45.82 68.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.561 -0.712 . . . . 0.0 109.921 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 11' ' ' PHE . 82.3 mt -62.12 -35.66 79.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.006 -1.058 . . . . 0.0 109.559 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -63.99 -40.92 97.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.174 -0.954 . . . . 0.0 109.201 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.48 -36.44 83.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 108.898 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -64.3 -33.27 75.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.076 -1.015 . . . . 0.0 108.97 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.96 77.21 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -87.56 8.81 23.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -1.133 . . . . 0.0 107.964 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.432 ' CE2' HD22 ' A' ' 5' ' ' LEU . 71.6 m-85 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.355 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.965 0.888 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -53.22 -29.95 35.14 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.107 -0.995 . . . . 0.0 108.493 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -44.17 -54.48 5.58 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.581 0.705 . . . . 0.0 109.357 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.28 -48.28 51.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.725 -0.609 . . . . 0.0 109.66 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 mt -55.15 -41.55 71.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.136 -0.977 . . . . 0.0 109.088 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -69.13 -43.01 75.26 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.391 -0.818 . . . . 0.0 109.829 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.69 -31.4 69.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.153 -0.967 . . . . 0.0 108.707 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.5 0.12 89.85 Favored Glycine 0 N--CA 1.495 2.568 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.573 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.4 9.52 20.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.941 -1.329 . . . . 0.0 108.293 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.059 -179.646 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 4' ' ' ASN . 10.5 tt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -45.34 -28.22 0.8 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.505 -0.747 . . . . 0.0 110.524 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -71.7 -33.15 68.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.841 -1.162 . . . . 0.0 108.98 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 1' ' ' ILE . 4.4 m120 -68.04 -46.23 71.73 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.77 -37.11 86.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -56.08 -37.47 69.37 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -66.99 -48.64 67.84 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.8 p -53.19 -33.81 54.28 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.19 -0.944 . . . . 0.0 109.034 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.5 0.73 87.78 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.395 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.11 17.37 8.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.161 -1.199 . . . . 0.0 108.639 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.356 -179.225 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 3' ' ' GLU . 8.8 mt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -46.81 -34.66 5.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.299 -0.876 . . . . 0.0 110.202 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.692 ' H ' HG22 ' A' ' 1' ' ' ILE . 73.4 tt0 -79.04 -19.9 50.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.028 -1.045 . . . . 0.0 108.475 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 1' ' ' ILE . 19.1 t-20 -72.11 -52.49 16.49 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.48 -40.78 83.68 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.67 -36.45 67.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.34 0.59 . . . . 0.0 109.657 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -67.82 -40.54 83.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.395 -0.815 . . . . 0.0 109.188 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -64.31 -35.84 82.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.119 -0.988 . . . . 0.0 108.897 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.52 -0.07 88.46 Favored Glycine 0 N--CA 1.495 2.578 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.911 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.1 mt -88.84 15.49 8.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.929 -1.336 . . . . 0.0 108.668 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.222 -179.504 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -62.54 -35.82 80.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.123 -0.986 . . . . 0.0 110.58 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.51 -29.13 65.55 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.935 -1.103 . . . . 0.0 108.594 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -63.11 -40.31 97.25 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.11 -42.49 99.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.38 -0.825 . . . . 0.0 108.808 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -52.93 -36.36 59.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.0 108.684 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -37.78 75.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.012 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 p -62.22 -36.02 80.68 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.113 -0.992 . . . . 0.0 109.029 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.05 -0.33 88.72 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 119.882 -1.152 . . . . 0.0 110.463 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.9 mt -89.47 15.13 9.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.917 -1.343 . . . . 0.0 108.795 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 118.109 -0.948 . . . . 0.0 109.389 -179.545 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.2 pt . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -53.28 -17.52 1.83 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.108 -0.995 . . . . 0.0 108.463 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -78.82 -30.81 45.52 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -64.01 -42.62 97.1 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.29 -40.78 96.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -52.03 -35.71 47.9 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.415 -0.803 . . . . 0.0 108.867 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -66.75 -45.41 78.67 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 p -50.77 -32.06 18.72 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.154 -0.966 . . . . 0.0 108.851 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.69 -2.12 69.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.65 8.83 26.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.304 -1.115 . . . . 0.0 108.279 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.233 -179.363 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 11.8 pt . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.155 0.502 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -56.75 -30.58 63.71 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.138 -0.976 . . . . 0.0 110.889 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.637 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.2 pm0 -78.24 -19.16 54.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.806 -1.183 . . . . 0.0 109.087 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.14 -53.72 10.29 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.16 -35.68 75.88 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -58.57 -38.16 77.27 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 14.2 m-20 -66.15 -36.45 83.15 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 p -64.12 -33.85 76.71 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.29 -0.881 . . . . 0.0 108.994 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.52 82.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 mt -92.26 15.4 13.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.233 -1.157 . . . . 0.0 108.7 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.23 -179.424 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.573 HG22 ' H ' ' A' ' 3' ' ' GLU . 3.3 mt . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -57.66 -37.49 73.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.347 -0.846 . . . . 0.0 110.556 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.573 ' H ' HG22 ' A' ' 1' ' ' ILE . 21.4 tt0 -81.68 -25.13 35.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.067 -1.021 . . . . 0.0 109.89 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -70.15 -50.68 38.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.668 -1.27 . . . . 0.0 107.783 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.63 -38.94 89.52 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -55.52 -35.98 66.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.248 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.8 -35.0 77.86 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.5 -35.58 80.61 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.191 -0.943 . . . . 0.0 108.965 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.72 -1.9 65.71 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.58 13.72 15.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -1.164 . . . . 0.0 108.616 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.309 -179.394 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -68.42 -19.11 64.57 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.79 -25.31 40.96 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.45 -50.4 38.71 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -37.46 79.9 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -57.85 -35.94 71.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.573 -0.704 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.13 -43.62 81.96 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -59.86 -32.19 70.47 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.081 -1.012 . . . . 0.0 109.089 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.71 -3.33 60.55 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -88.02 13.94 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -1.165 . . . . 0.0 108.417 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.373 -179.352 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 3' ' ' GLU . 1.9 mt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -51.71 -39.25 58.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.153 -0.967 . . . . 0.0 109.692 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.548 ' H ' HG22 ' A' ' 1' ' ' ILE . 65.2 tt0 -77.42 -23.39 50.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.131 -0.98 . . . . 0.0 109.244 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -70.13 -49.74 47.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.786 -1.197 . . . . 0.0 107.914 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.21 -46.87 87.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.238 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -52.94 -35.29 58.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 109.396 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.83 -45.12 71.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.417 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.7 p -55.02 -33.6 62.77 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.013 -1.054 . . . . 0.0 109.294 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.63 -4.34 60.7 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.31 13.38 11.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -1.134 . . . . 0.0 108.655 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.422 -179.042 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.0 tt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.68 0.752 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.555 HH11 ' CG ' ' A' ' 2' ' ' ARG . 3.3 mtt-85 -49.39 -31.96 10.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.112 -0.992 . . . . 0.0 108.575 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' OD2' ' A' ' 7' ' ' ASP . 24.2 tt0 -46.43 -52.41 13.14 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.522 0.677 . . . . 0.0 109.538 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -68.83 -47.01 67.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.48 -36.61 61.84 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.694 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.46 -38.45 81.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.225 -0.922 . . . . 0.0 108.938 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 3' ' ' GLU . 49.7 m-20 -67.97 -23.43 65.04 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 0.0 108.833 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 p -77.33 -35.47 54.74 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.24 -0.913 . . . . 0.0 108.644 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.31 0.32 82.89 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.576 -1.297 . . . . 0.0 109.93 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.74 10.52 25.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -1.177 . . . . 0.0 108.553 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.259 -179.593 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 34.2 mt . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.764 0.792 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.476 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 4.5 mpt_? -63.03 -17.55 62.35 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -84.52 -22.81 30.03 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -68.61 -49.37 59.76 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.06 -43.96 97.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -50.73 -34.7 28.09 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.433 -0.792 . . . . 0.0 109.492 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -69.11 -47.18 65.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 0.0 109.183 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -52.34 -34.45 47.42 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.984 -1.072 . . . . 0.0 109.068 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.89 -5.99 56.65 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 mt -87.32 12.16 12.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -1.166 . . . . 0.0 108.572 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.402 -179.49 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 18.2 tt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.538 ' NE ' ' NZ ' ' A' ' 6' ' ' LYS . 51.2 ttt180 -47.76 -31.15 4.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.118 -0.989 . . . . 0.0 108.59 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 4' ' ' ASN . 11.7 pt-20 -49.85 -48.59 51.03 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.684 0.755 . . . . 0.0 109.349 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 11.5 m120 -68.45 -47.89 65.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.115 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.54 -41.69 70.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.366 -0.834 . . . . 0.0 109.535 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.538 ' NZ ' ' NE ' ' A' ' 2' ' ' ARG . 26.7 mttp -63.24 -36.66 84.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.032 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 1.5 m-20 -67.28 -51.02 57.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.581 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 p -53.86 -36.14 62.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.083 -1.011 . . . . 0.0 109.459 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 0.65 85.2 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.497 -1.335 . . . . 0.0 110.373 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 mt -84.62 11.12 9.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.89 -1.359 . . . . 0.0 107.813 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.175 -179.353 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.68 ' N ' HD12 ' A' ' 1' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.514 ' N ' HG22 ' A' ' 1' ' ' ILE . 54.4 ttt180 -76.45 -19.7 57.79 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -79.61 -27.52 41.04 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.81 -52.18 32.94 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.84 -39.41 88.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -52.29 -36.07 52.01 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.49 -0.756 . . . . 0.0 109.037 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -69.93 -33.95 72.83 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.4 p -65.58 -35.92 82.24 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.095 -1.003 . . . . 0.0 108.563 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.34 -7.04 40.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.51 17.22 3.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.064 -1.257 . . . . 0.0 108.787 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.065 -179.62 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 3' ' ' GLU . 2.9 pt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -56.21 -14.11 2.55 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 1' ' ' ILE . 88.1 tt0 -78.79 -26.88 44.42 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -68.91 -49.91 54.09 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.465 HD22 ' CE1' ' A' ' 11' ' ' PHE . 90.6 mt -61.86 -38.36 87.96 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -53.01 -35.92 59.92 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 109.405 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -69.99 -41.09 74.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.369 -0.832 . . . . 0.0 109.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m -58.06 -37.37 74.29 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.781 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.38 90.67 Favored Glycine 0 N--CA 1.496 2.659 0 C-N-CA 119.952 -1.118 . . . . 0.0 110.61 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 mt -92.87 10.09 32.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.024 -1.28 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CE1' HD22 ' A' ' 5' ' ' LEU . 40.9 m-85 . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.407 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.295 0.569 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -60.6 -30.98 70.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.2 -0.938 . . . . 0.0 110.141 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -80.41 -20.4 44.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.092 -1.005 . . . . 0.0 109.172 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -69.63 -52.99 20.97 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.44 -36.46 84.24 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -56.31 -37.64 70.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.4 -0.812 . . . . 0.0 109.101 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.08 -46.17 71.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.305 -0.872 . . . . 0.0 108.85 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -52.42 -37.5 56.82 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.865 -1.147 . . . . 0.0 109.265 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.48 3.26 90.02 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.719 -1.229 . . . . 0.0 111.062 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.22 2.65 42.89 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.879 -1.365 . . . . 0.0 108.118 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.165 -179.589 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 4' ' ' ASN . 3.1 pt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -52.26 -16.79 0.91 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 1' ' ' ILE . 31.1 tp10 -79.77 -26.33 40.71 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 1' ' ' ILE . 6.3 t-20 -69.66 -50.39 44.45 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.16 -37.37 84.95 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.39 -35.41 65.3 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.604 0.716 . . . . 0.0 109.498 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.97 -46.96 73.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.386 -0.821 . . . . 0.0 108.93 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -57.39 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.226 -0.989 . . . . 0.0 109.039 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.94 0.5 88.69 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.05 -1.071 . . . . 0.0 110.735 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -89.53 12.9 15.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.932 -1.334 . . . . 0.0 108.865 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.087 -179.711 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.86 0.838 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' A' ' 2' ' ' ARG . 0.0 OUTLIER -47.46 -24.41 0.82 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.357 -0.84 . . . . 0.0 110.262 -179.145 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -75.4 -32.7 60.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.768 -1.207 . . . . 0.0 109.392 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.53 -50.65 57.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.806 -1.184 . . . . 0.0 107.808 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.71 -38.03 83.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -54.52 -36.38 64.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.792 . . . . 0.0 109.074 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.7 -43.23 76.46 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -56.47 -37.85 70.89 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.095 -1.003 . . . . 0.0 109.063 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.77 88.52 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 119.802 -1.189 . . . . 0.0 110.515 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -89.88 10.71 22.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.991 -1.3 . . . . 0.0 108.677 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.118 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.8 pt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.657 0.742 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -58.17 -34.28 70.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 0.0 111.007 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -78.29 -26.22 46.97 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.845 -1.159 . . . . 0.0 110.033 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.96 -44.95 83.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 108.201 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.77 -44.14 94.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.098 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -51.54 -36.67 46.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 108.814 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.79 -45.13 79.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.413 -0.804 . . . . 0.0 108.902 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.0 m -51.48 -34.23 34.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.102 -0.999 . . . . 0.0 108.803 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.32 1.3 90.39 Favored Glycine 0 N--CA 1.494 2.527 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.678 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 mt -89.86 15.69 9.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.986 -1.302 . . . . 0.0 108.517 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.127 -179.59 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.78 -49.87 55.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.804 -1.185 . . . . 0.0 108.344 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.45 HD22 ' CE2' ' A' ' 11' ' ' PHE . 95.5 mt -64.99 -40.56 95.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.269 -0.894 . . . . 0.0 108.821 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.66 -35.96 55.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.142 -0.973 . . . . 0.0 108.679 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -70.29 -43.03 71.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.535 -0.728 . . . . 0.0 109.302 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p -54.97 -34.38 63.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.073 -1.017 . . . . 0.0 109.124 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.54 -4.35 69.13 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.96 13.0 9.88 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.042 -1.269 . . . . 0.0 108.635 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CE2' HD22 ' A' ' 5' ' ' LEU . 61.6 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.204 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.684 0.754 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -69.28 -45.82 68.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.561 -0.712 . . . . 0.0 109.921 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 11' ' ' PHE . 82.3 mt -62.12 -35.66 79.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.006 -1.058 . . . . 0.0 109.559 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -63.99 -40.92 97.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.174 -0.954 . . . . 0.0 109.201 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.48 -36.44 83.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 108.898 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -64.3 -33.27 75.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.076 -1.015 . . . . 0.0 108.97 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.96 77.21 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -87.56 8.81 23.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -1.133 . . . . 0.0 107.964 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.432 ' CE2' HD22 ' A' ' 5' ' ' LEU . 71.6 m-85 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.355 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.581 0.705 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.28 -48.28 51.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.725 -0.609 . . . . 0.0 109.66 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 mt -55.15 -41.55 71.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.136 -0.977 . . . . 0.0 109.088 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -69.13 -43.01 75.26 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.391 -0.818 . . . . 0.0 109.829 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.69 -31.4 69.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.153 -0.967 . . . . 0.0 108.707 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.5 0.12 89.85 Favored Glycine 0 N--CA 1.495 2.568 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.573 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.4 9.52 20.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.941 -1.329 . . . . 0.0 108.293 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.059 -179.646 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -68.04 -46.23 71.73 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.77 -37.11 86.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -56.08 -37.47 69.37 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -66.99 -48.64 67.84 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.8 p -53.19 -33.81 54.28 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.19 -0.944 . . . . 0.0 109.034 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.5 0.73 87.78 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.395 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.11 17.37 8.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.161 -1.199 . . . . 0.0 108.639 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.356 -179.225 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -72.11 -52.49 16.49 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.48 -40.78 83.68 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.67 -36.45 67.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.34 0.59 . . . . 0.0 109.657 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -67.82 -40.54 83.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.395 -0.815 . . . . 0.0 109.188 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -64.31 -35.84 82.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.119 -0.988 . . . . 0.0 108.897 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.52 -0.07 88.46 Favored Glycine 0 N--CA 1.495 2.578 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.911 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.1 mt -88.84 15.49 8.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.929 -1.336 . . . . 0.0 108.668 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.222 -179.504 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -63.11 -40.31 97.25 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.11 -42.49 99.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.38 -0.825 . . . . 0.0 108.808 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -52.93 -36.36 59.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.0 108.684 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -37.78 75.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.012 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 p -62.22 -36.02 80.68 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.113 -0.992 . . . . 0.0 109.029 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.05 -0.33 88.72 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 119.882 -1.152 . . . . 0.0 110.463 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.9 mt -89.47 15.13 9.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.917 -1.343 . . . . 0.0 108.795 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 118.109 -0.948 . . . . 0.0 109.389 -179.545 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.01 -42.62 97.1 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.29 -40.78 96.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -52.03 -35.71 47.9 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.415 -0.803 . . . . 0.0 108.867 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -66.75 -45.41 78.67 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 p -50.77 -32.06 18.72 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.154 -0.966 . . . . 0.0 108.851 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.69 -2.12 69.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.65 8.83 26.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.304 -1.115 . . . . 0.0 108.279 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.233 -179.363 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 7' ' ' ASP . 1.2 pm0 . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.14 -53.72 10.29 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.16 -35.68 75.88 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -58.57 -38.16 77.27 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 14.2 m-20 -66.15 -36.45 83.15 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 p -64.12 -33.85 76.71 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.29 -0.881 . . . . 0.0 108.994 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.52 82.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 mt -92.26 15.4 13.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.233 -1.157 . . . . 0.0 108.7 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.23 -179.424 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -70.15 -50.68 38.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.668 -1.27 . . . . 0.0 107.783 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.63 -38.94 89.52 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -55.52 -35.98 66.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.248 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.8 -35.0 77.86 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.5 -35.58 80.61 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.191 -0.943 . . . . 0.0 108.965 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.72 -1.9 65.71 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.58 13.72 15.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -1.164 . . . . 0.0 108.616 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.309 -179.394 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.45 -50.4 38.71 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -37.46 79.9 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -57.85 -35.94 71.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.573 -0.704 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.13 -43.62 81.96 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -59.86 -32.19 70.47 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.081 -1.012 . . . . 0.0 109.089 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.71 -3.33 60.55 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -88.02 13.94 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -1.165 . . . . 0.0 108.417 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.373 -179.352 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -70.13 -49.74 47.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.786 -1.197 . . . . 0.0 107.914 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.21 -46.87 87.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.238 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -52.94 -35.29 58.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 109.396 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.83 -45.12 71.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.417 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.7 p -55.02 -33.6 62.77 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.013 -1.054 . . . . 0.0 109.294 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.63 -4.34 60.7 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.31 13.38 11.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -1.134 . . . . 0.0 108.655 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.422 -179.042 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' OD2' ' A' ' 7' ' ' ASP . 24.2 tt0 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.522 0.677 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -68.83 -47.01 67.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.48 -36.61 61.84 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.694 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.46 -38.45 81.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.225 -0.922 . . . . 0.0 108.938 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 3' ' ' GLU . 49.7 m-20 -67.97 -23.43 65.04 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 0.0 108.833 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 p -77.33 -35.47 54.74 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.24 -0.913 . . . . 0.0 108.644 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.31 0.32 82.89 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.576 -1.297 . . . . 0.0 109.93 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.74 10.52 25.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -1.177 . . . . 0.0 108.553 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.259 -179.593 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -68.61 -49.37 59.76 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.06 -43.96 97.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -50.73 -34.7 28.09 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.433 -0.792 . . . . 0.0 109.492 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -69.11 -47.18 65.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 0.0 109.183 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -52.34 -34.45 47.42 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.984 -1.072 . . . . 0.0 109.068 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.89 -5.99 56.65 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 mt -87.32 12.16 12.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -1.166 . . . . 0.0 108.572 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.402 -179.49 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 4' ' ' ASN . 11.7 pt-20 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.684 0.755 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 27.6 m-80 -68.45 -47.89 65.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.115 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.54 -41.69 70.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.366 -0.834 . . . . 0.0 109.535 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -63.24 -36.66 84.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.032 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 1.5 m-20 -67.28 -51.02 57.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.581 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 p -53.86 -36.14 62.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.083 -1.011 . . . . 0.0 109.459 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 0.65 85.2 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.497 -1.335 . . . . 0.0 110.373 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 mt -84.62 11.12 9.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.89 -1.359 . . . . 0.0 107.813 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.175 -179.353 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.81 -52.18 32.94 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.84 -39.41 88.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -52.29 -36.07 52.01 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.49 -0.756 . . . . 0.0 109.037 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -69.93 -33.95 72.83 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.4 p -65.58 -35.92 82.24 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.095 -1.003 . . . . 0.0 108.563 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.34 -7.04 40.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.51 17.22 3.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.064 -1.257 . . . . 0.0 108.787 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.065 -179.62 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -49.91 54.09 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.465 HD22 ' CE1' ' A' ' 11' ' ' PHE . 90.6 mt -61.86 -38.36 87.96 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -53.01 -35.92 59.92 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 109.405 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -69.99 -41.09 74.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.369 -0.832 . . . . 0.0 109.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m -58.06 -37.37 74.29 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.781 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.38 90.67 Favored Glycine 0 N--CA 1.496 2.659 0 C-N-CA 119.952 -1.118 . . . . 0.0 110.61 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 mt -92.87 10.09 32.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.024 -1.28 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CE1' HD22 ' A' ' 5' ' ' LEU . 40.9 m-85 . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.407 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -69.63 -52.99 20.97 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.44 -36.46 84.24 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -56.31 -37.64 70.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.4 -0.812 . . . . 0.0 109.101 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.08 -46.17 71.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.305 -0.872 . . . . 0.0 108.85 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -52.42 -37.5 56.82 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.865 -1.147 . . . . 0.0 109.265 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.48 3.26 90.02 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.719 -1.229 . . . . 0.0 111.062 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.22 2.65 42.89 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.879 -1.365 . . . . 0.0 108.118 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.165 -179.589 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -69.66 -50.39 44.45 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.16 -37.37 84.95 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.39 -35.41 65.3 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.604 0.716 . . . . 0.0 109.498 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.97 -46.96 73.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.386 -0.821 . . . . 0.0 108.93 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -57.39 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.226 -0.989 . . . . 0.0 109.039 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.94 0.5 88.69 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.05 -1.071 . . . . 0.0 110.735 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -89.53 12.9 15.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.932 -1.334 . . . . 0.0 108.865 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.087 -179.711 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.53 -50.65 57.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.806 -1.184 . . . . 0.0 107.808 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.71 -38.03 83.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -54.52 -36.38 64.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.792 . . . . 0.0 109.074 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.7 -43.23 76.46 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -56.47 -37.85 70.89 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.095 -1.003 . . . . 0.0 109.063 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.77 88.52 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 119.802 -1.189 . . . . 0.0 110.515 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -89.88 10.71 22.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.991 -1.3 . . . . 0.0 108.677 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.118 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 120.908 0.385 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.96 -44.95 83.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 108.201 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.77 -44.14 94.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.098 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -51.54 -36.67 46.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 108.814 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.79 -45.13 79.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.413 -0.804 . . . . 0.0 108.902 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.0 m -51.48 -34.23 34.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.102 -0.999 . . . . 0.0 108.803 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.32 1.3 90.39 Favored Glycine 0 N--CA 1.494 2.527 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.678 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 mt -89.86 15.69 9.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.986 -1.302 . . . . 0.0 108.517 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.127 -179.59 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.985 0.898 . . . . 0.0 108.796 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -47.48 -28.13 2.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.464 -0.773 . . . . 0.0 110.768 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.41 -30.53 63.31 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.995 -1.066 . . . . 0.0 109.375 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.78 -49.87 55.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.804 -1.185 . . . . 0.0 108.344 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.45 HD22 ' CE2' ' A' ' 11' ' ' PHE . 95.5 mt -64.99 -40.56 95.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.269 -0.894 . . . . 0.0 108.821 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.66 -35.96 55.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.142 -0.973 . . . . 0.0 108.679 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -70.29 -43.03 71.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.535 -0.728 . . . . 0.0 109.302 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p -54.97 -34.38 63.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.073 -1.017 . . . . 0.0 109.124 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.54 -4.35 69.13 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.96 13.0 9.88 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.042 -1.269 . . . . 0.0 108.635 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CE2' HD22 ' A' ' 5' ' ' LEU . 61.6 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.204 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.3 tt . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.713 0.768 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -51.36 -32.21 24.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.21 -0.931 . . . . 0.0 108.724 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -45.81 -53.95 8.81 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.684 0.754 . . . . 0.0 109.691 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -69.28 -45.82 68.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.561 -0.712 . . . . 0.0 109.921 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 11' ' ' PHE . 82.3 mt -62.12 -35.66 79.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.006 -1.058 . . . . 0.0 109.559 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -63.99 -40.92 97.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.174 -0.954 . . . . 0.0 109.201 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.48 -36.44 83.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 108.898 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -64.3 -33.27 75.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.076 -1.015 . . . . 0.0 108.97 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.96 77.21 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -87.56 8.81 23.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -1.133 . . . . 0.0 107.964 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.432 ' CE2' HD22 ' A' ' 5' ' ' LEU . 71.6 m-85 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.355 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.965 0.888 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -53.22 -29.95 35.14 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.107 -0.995 . . . . 0.0 108.493 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -44.17 -54.48 5.58 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.581 0.705 . . . . 0.0 109.357 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.28 -48.28 51.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.725 -0.609 . . . . 0.0 109.66 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 mt -55.15 -41.55 71.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.136 -0.977 . . . . 0.0 109.088 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -69.13 -43.01 75.26 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.391 -0.818 . . . . 0.0 109.829 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.69 -31.4 69.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -67.49 -35.61 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.153 -0.967 . . . . 0.0 108.707 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.5 0.12 89.85 Favored Glycine 0 N--CA 1.495 2.568 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.573 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.4 9.52 20.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.941 -1.329 . . . . 0.0 108.293 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.059 -179.646 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 4' ' ' ASN . 10.5 tt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -45.34 -28.22 0.8 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.505 -0.747 . . . . 0.0 110.524 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -71.7 -33.15 68.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.841 -1.162 . . . . 0.0 108.98 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 1' ' ' ILE . 4.4 m120 -68.04 -46.23 71.73 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.77 -37.11 86.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -56.08 -37.47 69.37 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -66.99 -48.64 67.84 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.8 p -53.19 -33.81 54.28 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.19 -0.944 . . . . 0.0 109.034 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.5 0.73 87.78 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.395 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.11 17.37 8.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.161 -1.199 . . . . 0.0 108.639 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.356 -179.225 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 3' ' ' GLU . 8.8 mt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -46.81 -34.66 5.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.299 -0.876 . . . . 0.0 110.202 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.692 ' H ' HG22 ' A' ' 1' ' ' ILE . 73.4 tt0 -79.04 -19.9 50.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.028 -1.045 . . . . 0.0 108.475 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 1' ' ' ILE . 19.1 t-20 -72.11 -52.49 16.49 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.48 -40.78 83.68 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.67 -36.45 67.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.34 0.59 . . . . 0.0 109.657 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -67.82 -40.54 83.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.395 -0.815 . . . . 0.0 109.188 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -64.31 -35.84 82.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.119 -0.988 . . . . 0.0 108.897 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.52 -0.07 88.46 Favored Glycine 0 N--CA 1.495 2.578 0 C-N-CA 119.819 -1.181 . . . . 0.0 110.911 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.1 mt -88.84 15.49 8.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.929 -1.336 . . . . 0.0 108.668 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.222 -179.504 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -62.54 -35.82 80.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.123 -0.986 . . . . 0.0 110.58 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.51 -29.13 65.55 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.935 -1.103 . . . . 0.0 108.594 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -63.11 -40.31 97.25 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.11 -42.49 99.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.38 -0.825 . . . . 0.0 108.808 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -52.93 -36.36 59.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.0 108.684 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -37.78 75.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.012 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 p -62.22 -36.02 80.68 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.113 -0.992 . . . . 0.0 109.029 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.05 -0.33 88.72 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 119.882 -1.152 . . . . 0.0 110.463 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.9 mt -89.47 15.13 9.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.917 -1.343 . . . . 0.0 108.795 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 118.109 -0.948 . . . . 0.0 109.389 -179.545 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.411 ' H3 ' HG12 ' A' ' 1' ' ' ILE . 4.2 pt . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -53.28 -17.52 1.83 Allowed 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.108 -0.995 . . . . 0.0 108.463 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -78.82 -30.81 45.52 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.01 -42.62 97.1 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.29 -40.78 96.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -52.03 -35.71 47.9 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.415 -0.803 . . . . 0.0 108.867 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -66.75 -45.41 78.67 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 p -50.77 -32.06 18.72 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.154 -0.966 . . . . 0.0 108.851 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.69 -2.12 69.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.65 8.83 26.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.304 -1.115 . . . . 0.0 108.279 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.233 -179.363 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 11.8 pt . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.155 0.502 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -56.75 -30.58 63.71 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.138 -0.976 . . . . 0.0 110.889 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.637 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.2 pm0 -78.24 -19.16 54.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.806 -1.183 . . . . 0.0 109.087 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -73.14 -53.72 10.29 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.16 -35.68 75.88 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -58.57 -38.16 77.27 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 14.2 m-20 -66.15 -36.45 83.15 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 p -64.12 -33.85 76.71 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.29 -0.881 . . . . 0.0 108.994 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.52 82.72 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 mt -92.26 15.4 13.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.233 -1.157 . . . . 0.0 108.7 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.23 -179.424 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.573 HG22 ' H ' ' A' ' 3' ' ' GLU . 3.3 mt . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -57.66 -37.49 73.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.347 -0.846 . . . . 0.0 110.556 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.573 ' H ' HG22 ' A' ' 1' ' ' ILE . 21.4 tt0 -81.68 -25.13 35.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.067 -1.021 . . . . 0.0 109.89 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -70.15 -50.68 38.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.668 -1.27 . . . . 0.0 107.783 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.63 -38.94 89.52 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -55.52 -35.98 66.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.248 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.8 -35.0 77.86 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.5 -35.58 80.61 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.191 -0.943 . . . . 0.0 108.965 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.72 -1.9 65.71 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -90.58 13.72 15.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.221 -1.164 . . . . 0.0 108.616 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.309 -179.394 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -68.42 -19.11 64.57 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.79 -25.31 40.96 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.45 -50.4 38.71 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -37.46 79.9 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -57.85 -35.94 71.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.573 -0.704 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.13 -43.62 81.96 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -59.86 -32.19 70.47 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.081 -1.012 . . . . 0.0 109.089 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.71 -3.33 60.55 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -88.02 13.94 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -1.165 . . . . 0.0 108.417 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.373 -179.352 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 3' ' ' GLU . 1.9 mt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -51.71 -39.25 58.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.153 -0.967 . . . . 0.0 109.692 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.548 ' H ' HG22 ' A' ' 1' ' ' ILE . 65.2 tt0 -77.42 -23.39 50.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.131 -0.98 . . . . 0.0 109.244 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -70.13 -49.74 47.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.786 -1.197 . . . . 0.0 107.914 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.21 -46.87 87.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.238 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -52.94 -35.29 58.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 109.396 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.83 -45.12 71.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.417 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.7 p -55.02 -33.6 62.77 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.013 -1.054 . . . . 0.0 109.294 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.63 -4.34 60.7 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.31 13.38 11.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -1.134 . . . . 0.0 108.655 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.422 -179.042 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.0 tt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.68 0.752 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.555 HH11 ' CG ' ' A' ' 2' ' ' ARG . 3.3 mtt-85 -49.39 -31.96 10.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.112 -0.992 . . . . 0.0 108.575 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' OD2' ' A' ' 7' ' ' ASP . 24.2 tt0 -46.43 -52.41 13.14 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.522 0.677 . . . . 0.0 109.538 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -68.83 -47.01 67.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.48 -36.61 61.84 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.173 -1.011 . . . . 0.0 108.694 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.46 -38.45 81.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.225 -0.922 . . . . 0.0 108.938 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 3' ' ' GLU . 49.7 m-20 -67.97 -23.43 65.04 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 0.0 108.833 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 p -77.33 -35.47 54.74 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.24 -0.913 . . . . 0.0 108.644 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.31 0.32 82.89 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.576 -1.297 . . . . 0.0 109.93 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.74 10.52 25.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -1.177 . . . . 0.0 108.553 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.259 -179.593 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.476 ' N ' HD22 ' A' ' 4' ' ' ASN . 34.2 mt . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.764 0.792 . . . . 0.0 108.868 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.476 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 4.5 mpt_? -63.03 -17.55 62.35 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -84.52 -22.81 30.03 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.476 HD22 ' N ' ' A' ' 1' ' ' ILE . 20.4 m-80 -68.61 -49.37 59.76 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.06 -43.96 97.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -50.73 -34.7 28.09 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.433 -0.792 . . . . 0.0 109.492 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -69.11 -47.18 65.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 0.0 109.183 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.7 p -52.34 -34.45 47.42 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.984 -1.072 . . . . 0.0 109.068 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.89 -5.99 56.65 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.6 mt -87.32 12.16 12.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -1.166 . . . . 0.0 108.572 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.402 -179.49 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 18.2 tt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.538 ' NE ' ' NZ ' ' A' ' 6' ' ' LYS . 51.2 ttt180 -47.76 -31.15 4.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.118 -0.989 . . . . 0.0 108.59 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 4' ' ' ASN . 11.7 pt-20 -49.85 -48.59 51.03 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.684 0.755 . . . . 0.0 109.349 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 27.6 m-80 -68.45 -47.89 65.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.115 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.4 mt -54.54 -41.69 70.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.366 -0.834 . . . . 0.0 109.535 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.538 ' NZ ' ' NE ' ' A' ' 2' ' ' ARG . 26.7 mttp -63.24 -36.66 84.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.032 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 3' ' ' GLU . 1.5 m-20 -67.28 -51.02 57.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.581 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 p -53.86 -36.14 62.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.083 -1.011 . . . . 0.0 109.459 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.7 0.65 85.2 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.497 -1.335 . . . . 0.0 110.373 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 mt -84.62 11.12 9.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.89 -1.359 . . . . 0.0 107.813 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.175 -179.353 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.68 ' N ' HD12 ' A' ' 1' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.514 ' N ' HG22 ' A' ' 1' ' ' ILE . 54.4 ttt180 -76.45 -19.7 57.79 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -79.61 -27.52 41.04 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.81 -52.18 32.94 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.84 -39.41 88.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -52.29 -36.07 52.01 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.49 -0.756 . . . . 0.0 109.037 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -69.93 -33.95 72.83 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.4 p -65.58 -35.92 82.24 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.095 -1.003 . . . . 0.0 108.563 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.34 -7.04 40.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.51 17.22 3.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.064 -1.257 . . . . 0.0 108.787 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.065 -179.62 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 3' ' ' GLU . 2.9 pt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -56.21 -14.11 2.55 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 1' ' ' ILE . 88.1 tt0 -78.79 -26.88 44.42 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -49.91 54.09 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.465 HD22 ' CE1' ' A' ' 11' ' ' PHE . 90.6 mt -61.86 -38.36 87.96 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -53.01 -35.92 59.92 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 109.405 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -69.99 -41.09 74.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.369 -0.832 . . . . 0.0 109.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m -58.06 -37.37 74.29 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.781 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.38 90.67 Favored Glycine 0 N--CA 1.496 2.659 0 C-N-CA 119.952 -1.118 . . . . 0.0 110.61 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 mt -92.87 10.09 32.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.024 -1.28 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CE1' HD22 ' A' ' 5' ' ' LEU . 40.9 m-85 . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.407 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.295 0.569 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -60.6 -30.98 70.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.2 -0.938 . . . . 0.0 110.141 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -80.41 -20.4 44.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.092 -1.005 . . . . 0.0 109.172 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -69.63 -52.99 20.97 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.44 -36.46 84.24 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -56.31 -37.64 70.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.4 -0.812 . . . . 0.0 109.101 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.08 -46.17 71.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.305 -0.872 . . . . 0.0 108.85 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -52.42 -37.5 56.82 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.865 -1.147 . . . . 0.0 109.265 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.48 3.26 90.02 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.719 -1.229 . . . . 0.0 111.062 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.22 2.65 42.89 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.879 -1.365 . . . . 0.0 108.118 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.165 -179.589 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 4' ' ' ASN . 3.1 pt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -52.26 -16.79 0.91 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 1' ' ' ILE . 31.1 tp10 -79.77 -26.33 40.71 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 1' ' ' ILE . 6.3 t-20 -69.66 -50.39 44.45 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.16 -37.37 84.95 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.39 -35.41 65.3 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.604 0.716 . . . . 0.0 109.498 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.97 -46.96 73.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.386 -0.821 . . . . 0.0 108.93 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -57.39 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.226 -0.989 . . . . 0.0 109.039 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.94 0.5 88.69 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.05 -1.071 . . . . 0.0 110.735 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -89.53 12.9 15.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.932 -1.334 . . . . 0.0 108.865 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.087 -179.711 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.86 0.838 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -47.46 -24.41 0.82 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.357 -0.84 . . . . 0.0 110.262 -179.145 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -75.4 -32.7 60.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.768 -1.207 . . . . 0.0 109.392 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.53 -50.65 57.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.806 -1.184 . . . . 0.0 107.808 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.71 -38.03 83.67 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -54.52 -36.38 64.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.792 . . . . 0.0 109.074 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.7 -43.23 76.46 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -56.47 -37.85 70.89 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.095 -1.003 . . . . 0.0 109.063 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.77 88.52 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 119.802 -1.189 . . . . 0.0 110.515 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -89.88 10.71 22.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.991 -1.3 . . . . 0.0 108.677 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.118 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.8 pt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.657 0.742 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -58.17 -34.28 70.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 0.0 111.007 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -78.29 -26.22 46.97 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.845 -1.159 . . . . 0.0 110.033 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.96 -44.95 83.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 108.201 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.77 -44.14 94.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.098 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -51.54 -36.67 46.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 108.814 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.79 -45.13 79.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.413 -0.804 . . . . 0.0 108.902 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.0 m -51.48 -34.23 34.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.102 -0.999 . . . . 0.0 108.803 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.32 1.3 90.39 Favored Glycine 0 N--CA 1.494 2.527 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.678 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 mt -89.86 15.69 9.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.986 -1.302 . . . . 0.0 108.517 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.127 -179.59 . . . . . . . . 0 0 . 1 stop_ save_