data_1rpr_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 1rpr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.217 -0.649 0 N-CA-C 107.966 -1.124 . . . . 2.5299999999999998 107.966 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -27.39 55.93 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.824 -1.551 . . . . 4.3700000000000001 108.565 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.9 m -61.82 -48.16 81.85 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 117.12 -1.832 . . . . 2.0499999999999998 108.17 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.0 99.4 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 118.049 -1.461 . . . . 1.02 108.01 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.834 -1.53 . . . . 2.8900000000000001 108.761 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -78.07 -33.05 51.01 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.097 -1.041 . . . . 2.6400000000000001 108.529 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.2 mmm -65.42 -49.6 68.6 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.706 -1.598 . . . . 2.9100000000000001 109.535 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.02 97.8 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 117.754 -1.579 . . . . 0.88 109.097 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 31.2 ttp180 -64.52 -32.67 74.41 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.455 -1.298 . . . . 3.8199999999999998 108.765 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.37 -43.44 70.13 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 118.796 -1.161 . . . . 3.4900000000000002 110.391 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.4 mt -60.72 -36.76 73.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 C-N-CA 117.406 -1.718 . . . . 1.1399999999999999 108.335 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.89 -45.18 90.88 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 116.909 -1.916 . . . . 3.21 106.597 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -59.17 -43.31 92.11 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 118.725 -1.19 . . . . 0.81999999999999995 110.327 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -61.15 -39.52 90.4 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 117.457 -1.697 . . . . 1.8 108.327 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -65.34 -30.71 71.58 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.636 -1.226 . . . . 0.59999999999999998 109.313 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.1 -58.05 5.1 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.986 -2.227 . . . . 1.96 104.986 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -59.38 -20.9 58.44 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.849 -1.14 . . . . 1.2 109.956 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -73.61 -44.71 56.38 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.372 -2.085 . . . . 2.4199999999999999 105.372 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.7 -49.81 46.3 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.965 -1.865 . . . . 1.49 105.965 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' CB ' ' HZ3' ' A' ' 25' ' ' LYS . 77.9 mt-10 -51.4 -65.52 0.54 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.402 -1.272 . . . . 1.8899999999999999 112.175 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HZ3' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -53.67 -35.01 60.6 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.19 -1.368 . . . . 2.1299999999999999 111.824 -177.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.48 -39.74 85.24 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.812 -1.555 . . . . 1.71 107.765 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.456 HD21 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -65.19 -28.52 69.44 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.344 -1.743 . . . . 2.3199999999999998 108.704 -179.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -63.55 -40.55 97.3 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 117.775 -1.57 . . . . 2.6099999999999999 107.53 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.01 32.98 0.88 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 114.721 -1.127 . . . . 2.4500000000000002 111.5 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 38.85 37.96 0.24 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 124.941 1.401 . . . . 2.4500000000000002 110.461 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.2 63.81 5.1 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.047 -1.094 . . . . 1.04 108.047 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.4 p-10 -50.5 -44.9 56.15 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 125.654 1.846 . . . . 2.8300000000000001 107.749 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 8.2 tt0 -52.77 -68.46 0.17 Allowed 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 112.027 -2.351 . . . . 2.1499999999999999 109.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -58.11 -23.22 54.14 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 113.07 -1.877 . . . . 2.52 109.693 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.22 70.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.738 -1.585 . . . . 0.69999999999999996 108.21 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.25 -54.63 43.53 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.086 -1.846 . . . . 1.6699999999999999 108.828 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -54.24 -33.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 112.335 -2.211 . . . . 1.74 108.536 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 t -69.41 -38.19 77.81 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.337 -1.345 . . . . 1.1200000000000001 110.163 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.13 -35.33 76.27 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 117.247 -1.781 . . . . 2.8199999999999998 107.867 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -64.65 -32.68 74.45 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 117.444 -1.703 . . . . 0.83999999999999997 106.698 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.47 -32.9 64.58 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.623 -1.251 . . . . 1.5900000000000001 107.623 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.75 -49.64 76.7 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.777 -1.556 . . . . 1.75 107.349 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.8 -51.02 69.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.659 -1.216 . . . . 1.8600000000000001 109.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -22.69 66.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 117.99 -1.484 . . . . 2.8999999999999999 110.981 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.22 -33.5 69.94 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 102.591 -3.114 . . . . 0.77000000000000002 102.591 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' HH21 ' A' ' 50' ' ' ARG . 23.8 t0 -75.91 -33.18 59.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.28 -1.768 . . . . 1.45 106.985 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' N ' HH21 ' A' ' 50' ' ' ARG . 69.1 mm-40 -54.83 -38.53 67.53 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 117.488 -1.685 . . . . 2.02 106.743 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -48.36 66.0 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 117.064 -1.855 . . . . 2.2000000000000002 107.604 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 85.7 t80 -58.01 -61.41 2.56 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.579 1.326 . . . . 2.2599999999999998 114.579 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.415 HH21 ' HB3' ' A' ' 46' ' ' ASP . 6.3 ptp180 -51.35 -39.94 58.1 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.966 -0.753 . . . . 2.8399999999999999 108.966 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.6 m -69.96 -31.93 69.91 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.667 -1.613 . . . . 2.3999999999999999 108.794 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.9 m -68.71 -22.7 64.33 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.368 -2.086 . . . . 2.75 105.368 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.4 -23.57 27.89 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 105.454 -2.054 . . . . 1.9199999999999999 105.454 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.582 0 C-N-CA 117.237 -1.785 . . . . 2.1099999999999999 107.231 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 105.801 -1.926 . . . . 2.5299999999999998 105.801 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -39.28 82.39 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.009 -1.45 . . . . 4.3700000000000001 110.944 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -69.08 -40.98 78.13 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 117.314 -1.754 . . . . 2.0499999999999998 109.112 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.79 72.18 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 118.989 -1.084 . . . . 1.02 109.107 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.48 -48.44 71.8 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 112.765 -2.016 . . . . 2.8900000000000001 108.335 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -62.66 -32.81 73.93 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 113.864 -1.517 . . . . 2.6400000000000001 112.853 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.5 mtm -72.1 -34.15 68.4 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 116.23 -2.188 . . . . 2.9100000000000001 108.496 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.46 48.59 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 117.426 -1.71 . . . . 0.88 106.954 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -57.92 -30.99 66.38 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.877 -1.965 . . . . 3.8199999999999998 108.022 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.65 -53.01 38.57 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 118.105 -1.438 . . . . 3.4900000000000002 109.951 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.77 -32.38 46.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 118.441 -1.303 . . . . 1.1399999999999999 109.699 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.574 HH21 ' CD2' ' B' ' 42' ' ' HIS . 57.1 ttt85 -60.96 -59.31 5.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 116.285 -2.166 . . . . 3.21 108.854 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.4 m -59.17 -40.97 87.31 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.147 -0.933 . . . . 0.81999999999999995 111.948 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -55.29 -57.79 10.38 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.93 -1.137 . . . . 1.8 107.93 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -58.7 -28.27 65.63 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.067 -1.424 . . . . 0.59999999999999998 110.376 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.46 -55.34 28.57 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.021 -2.214 . . . . 1.96 105.021 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.8 m -57.6 -25.19 59.7 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.18 -1.373 . . . . 1.2 110.192 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -80.9 -30.23 35.46 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 116.366 -2.134 . . . . 2.4199999999999999 108.763 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 tt -62.11 -57.38 11.79 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.344 -1.743 . . . . 1.49 107.235 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.504 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.16 -61.1 2.89 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 117.828 -1.549 . . . . 1.8899999999999999 112.51 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.504 ' HZ2' ' CD ' ' B' ' 24' ' ' GLU . 13.0 mmtm -56.02 -37.03 68.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.853 -1.139 . . . . 2.1299999999999999 114.069 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.9 mp -73.03 -29.83 63.3 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 116.011 -2.276 . . . . 1.71 107.676 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.32 -46.07 90.37 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.787 -1.931 . . . . 2.3199999999999998 105.787 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.22 -27.78 68.24 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 113.197 -1.819 . . . . 2.6099999999999999 110.026 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 25.5 tp -89.91 20.02 4.46 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.293 -1.373 . . . . 2.4500000000000002 107.293 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 18.9 t0 51.64 74.57 0.25 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.683 -1.228 . . . . 2.4500000000000002 107.683 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.28 51.66 0.25 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 101.934 -3.358 . . . . 1.04 101.934 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.25 -35.14 74.81 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 112.821 -1.991 . . . . 2.8300000000000001 110.87 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.9 mp0 -58.02 -45.26 87.19 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.47 -1.678 . . . . 2.1499999999999999 106.47 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.22 -32.65 74.43 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.463 -2.095 . . . . 2.52 108.21 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.44 96.42 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.447 -1.301 . . . . 0.69999999999999996 109.265 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -57.2 -57.82 10.94 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.544 1.164 . . . . 1.6699999999999999 109.131 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.16 -30.28 45.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 113.26 -1.791 . . . . 1.74 109.275 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 87.8 m -67.37 -28.45 67.95 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.665 -1.614 . . . . 1.1200000000000001 108.191 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -72.01 -40.9 68.15 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.901 -1.52 . . . . 2.8199999999999998 108.014 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -36.15 77.0 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 116.446 -2.102 . . . . 0.83999999999999997 108.879 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.71 -33.43 72.49 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.957 -1.474 . . . . 1.5900000000000001 108.039 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.574 ' CD2' HH21 ' B' ' 16' ' ' ARG . 72.4 t60 -53.23 -59.0 5.13 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.102 -1.863 . . . . 1.75 109.355 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -80.7 -23.42 39.54 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 116.128 -2.229 . . . . 1.8600000000000001 112.083 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.77 -30.94 71.28 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 116.237 -2.185 . . . . 2.8999999999999999 105.849 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.51 81.22 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 104.962 -2.236 . . . . 0.77000000000000002 104.962 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 37.2 t70 -65.41 -23.22 66.9 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.176 -1.829 . . . . 1.45 108.706 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -58.3 -34.0 70.08 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 117.364 -1.734 . . . . 2.02 108.301 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.428 HD23 ' N ' ' B' ' 48' ' ' LEU . 3.6 mm? -69.85 -36.12 75.29 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.052 -1.859 . . . . 2.2000000000000002 107.347 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -51.63 66.92 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 106.63 -1.619 . . . . 2.2599999999999998 106.63 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -53.79 -57.32 11.33 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.293 -0.563 . . . . 2.8399999999999999 110.494 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -59.28 -31.72 69.37 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.434 -0.907 . . . . 2.3999999999999999 111.04 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' B' ' 48' ' ' LEU . 96.5 m -74.74 -28.9 60.96 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.711 -1.596 . . . . 2.75 108.108 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 tp -75.6 -23.19 56.43 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 105.371 -2.085 . . . . 1.9199999999999999 105.371 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.84 -62.82 1.57 Allowed 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.705 -1.598 . . . . 2.1099999999999999 109.713 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -58.42 -42.19 86.7 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.587 -1.188 . . . . 4.0099999999999998 111.39 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.302 -1.467 0 C-N-CA 118.493 -1.283 . . . . 3.1099999999999999 113.073 -177.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 106.8 -1.556 . . . . 2.5299999999999998 106.8 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -69.7 -20.54 63.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.987 -1.085 . . . . 4.3700000000000001 109.98 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.7 m -72.57 -46.86 52.29 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 104.268 -2.493 . . . . 2.0499999999999998 104.268 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.07 79.17 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.308 -0.957 . . . . 1.02 109.091 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -58.13 -51.1 71.13 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.111 -1.811 . . . . 2.8900000000000001 106.111 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -61.16 -35.49 77.24 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 113.683 -1.599 . . . . 2.6400000000000001 111.552 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 33.8 mtm -63.77 -42.02 97.86 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 117.316 -1.754 . . . . 2.9100000000000001 109.261 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.41 88.46 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.282 -1.367 . . . . 0.88 108.879 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.581 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -63.95 -38.99 93.11 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.314 -1.755 . . . . 3.8199999999999998 108.901 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.59 -32.74 74.3 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.901 -1.919 . . . . 3.4900000000000002 109.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -61.38 -43.62 97.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.492 -2.04 . . . . 1.1399999999999999 105.492 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 19.6 ttt180 -60.54 -40.83 92.95 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 117.673 -1.611 . . . . 3.21 109.352 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 m -59.28 -48.95 79.72 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.083 -1.047 . . . . 0.81999999999999995 110.438 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.96 -44.43 94.43 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.954 -1.098 . . . . 1.8 108.742 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -58.26 -29.48 65.83 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.449 -1.301 . . . . 0.59999999999999998 109.804 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -46.56 82.9 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.043 -2.206 . . . . 1.96 105.043 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -59.15 -37.1 76.49 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.142 -1.423 . . . . 1.2 108.703 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.88 -28.31 65.54 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.292 -1.763 . . . . 2.4199999999999999 109.092 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.17 -48.28 82.21 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.688 -2.338 . . . . 1.49 104.688 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -65.1 0.74 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 112.994 -1.912 . . . . 1.8899999999999999 111.111 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -48.5 -48.8 37.86 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.093 -0.958 . . . . 2.1299999999999999 112.978 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -60.11 -37.95 81.54 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 117.311 -1.755 . . . . 1.71 107.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -62.02 -40.87 97.19 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.025 -1.07 . . . . 2.3199999999999998 109.4 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.463 ' C ' ' H ' ' A' ' 30' ' ' ASP . 94.4 mt-10 -61.52 -36.55 80.85 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.859 0.838 . . . . 2.6099999999999999 108.9 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 31' ' ' ALA . 21.5 mt -87.91 31.46 0.78 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.87 -1.514 . . . . 2.4500000000000002 107.627 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 28' ' ' GLU . 4.0 p-10 41.56 14.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 126.514 2.384 . . . . 2.4500000000000002 112.129 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 29' ' ' LEU . . . -88.54 56.23 3.7 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 104.284 -2.487 . . . . 1.04 104.284 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.83 -31.83 71.94 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.752 -1.179 . . . . 2.8300000000000001 110.386 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 115.5 -2.48 . . . . 2.1499999999999999 105.78 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.425 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 98.8 mm-40 -72.95 -29.01 62.76 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 116.552 -2.059 . . . . 2.52 105.638 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.5 71.42 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.108 -1.812 . . . . 0.69999999999999996 106.108 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.82 -50.63 71.52 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.884 -1.526 . . . . 1.6699999999999999 107.41 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.88 -33.23 45.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 113.82 -1.536 . . . . 1.74 107.03 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.9 t -73.23 -27.16 61.45 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.457 -1.297 . . . . 1.1200000000000001 110.598 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -76.02 -40.67 53.03 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.589 -2.375 . . . . 2.8199999999999998 104.589 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.8 m -59.28 -32.72 70.28 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.571 -2.011 . . . . 0.83999999999999997 105.571 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -73.82 -35.34 64.85 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.922 -1.51 . . . . 1.5900000000000001 106.922 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 36.8 t60 -57.44 -58.87 6.39 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.009 -1.45 . . . . 1.75 110.145 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.41 -25.16 39.17 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 116.412 -2.115 . . . . 1.8600000000000001 112.18 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.86 -35.28 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.754 -2.313 . . . . 2.8999999999999999 104.754 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.1 80.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.347 -2.094 . . . . 0.77000000000000002 105.347 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 7.0 t70 -69.41 -22.06 63.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.02 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CD ' ' NH2' ' A' ' 50' ' ' ARG . 18.4 mm-40 -63.62 -42.43 98.18 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 105.05 -2.204 . . . . 2.02 105.05 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.84 -40.97 90.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 105.745 -1.946 . . . . 2.2000000000000002 105.745 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 30.4 t80 -61.08 -40.18 92.71 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.468 -0.893 . . . . 2.2599999999999998 110.993 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' NH2' ' CD ' ' A' ' 47' ' ' GLU . 43.4 mtm-85 -68.08 -61.32 1.91 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.706 -0.797 . . . . 2.8399999999999999 110.135 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 m -54.28 -33.44 58.65 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 114.621 -1.172 . . . . 2.3999999999999999 109.753 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.1 m -66.29 -49.52 66.8 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 117.202 -1.799 . . . . 2.75 107.911 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.11 -40.88 33.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 118.905 -1.118 . . . . 1.9199999999999999 110.401 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 C-N-CA 118.824 -1.15 . . . . 2.1099999999999999 110.687 -179.548 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.035 0.445 . . . . 2.5299999999999998 110.923 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -74.42 -21.46 59.61 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.384 -1.726 . . . . 4.3700000000000001 107.497 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 m -66.53 -61.97 1.71 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 117.473 -1.691 . . . . 2.0499999999999998 106.892 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.89 -39.25 53.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.495 -0.775 . . . . 1.02 109.791 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.437 ' HG ' ' CE1' ' B' ' 49' ' ' TYR . 33.3 tp -57.84 -57.35 13.17 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.666 -1.214 . . . . 2.8900000000000001 108.811 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -61.77 -25.91 67.76 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.594 -1.243 . . . . 2.6400000000000001 110.666 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 89.3 mmm -71.11 -38.04 72.36 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.745 -1.582 . . . . 2.9100000000000001 108.942 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.7 87.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.586 -1.635 . . . . 0.88 106.586 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -58.31 -41.42 84.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.584 -1.644 . . . . 3.8199999999999998 109.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -61.05 -48.68 80.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.236 -1.386 . . . . 3.4900000000000002 110.163 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.9 mt -56.38 -37.69 52.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.926 -1.034 . . . . 1.1399999999999999 108.996 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.479 ' HG2' ' CE1' ' B' ' 42' ' ' HIS . 34.5 ttt180 -58.38 -51.07 71.38 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 116.861 -1.935 . . . . 3.21 107.924 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -51.16 -44.12 61.4 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.989 -1.005 . . . . 0.81999999999999995 110.565 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.28 -50.09 74.84 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.284 -1.367 . . . . 1.8 109.208 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -54.49 -31.08 55.24 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 113.925 -1.488 . . . . 0.59999999999999998 110.182 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.37 -54.79 27.31 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.731 -1.952 . . . . 1.96 105.731 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -50.1 -37.18 32.69 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.564 -1.653 . . . . 1.2 110.454 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.72 -41.28 60.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 116.817 -1.953 . . . . 2.4199999999999999 109.892 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.44 -50.92 58.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.622 -1.621 . . . . 1.49 106.622 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.48 -59.42 4.61 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.033 -1.894 . . . . 1.8899999999999999 107.719 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.81 -18.82 46.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.654 -1.219 . . . . 2.1299999999999999 112.552 -178.536 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 mt -78.4 -34.43 48.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.949 -1.871 . . . . 1.71 105.949 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -64.1 -41.06 97.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.056 -1.831 . . . . 2.3199999999999998 106.056 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.2 -44.21 95.99 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.481 -1.236 . . . . 2.6099999999999999 109.91 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' ALA . 87.6 mt -89.97 42.44 1.09 Allowed 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.518 -0.873 . . . . 2.4500000000000002 109.378 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 34.63 16.62 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 127.454 2.971 . . . . 2.4500000000000002 115.59 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.62 58.11 3.43 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 104.936 -2.246 . . . . 1.04 104.936 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.96 -35.79 81.83 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 118.534 -1.266 . . . . 2.8300000000000001 110.701 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -33.91 75.8 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 116.214 -2.194 . . . . 2.1499999999999999 106.765 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -76.17 -23.4 54.74 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 116.698 -2.001 . . . . 2.52 107.466 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.71 87.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 105.704 -1.961 . . . . 0.69999999999999996 105.704 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.85 -56.47 20.85 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.601 1.191 . . . . 1.6699999999999999 108.448 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.3 -30.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.995 -1.911 . . . . 1.74 108.139 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.05 -36.69 69.67 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.195 -1.402 . . . . 1.1200000000000001 109.282 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -65.58 -44.46 86.59 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 117.911 -1.516 . . . . 2.8199999999999998 107.511 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' B' ' 44' ' ' HIS . 16.6 m -51.54 -48.33 63.09 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 117.2 -1.8 . . . . 0.83999999999999997 107.66 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.12 -37.29 84.56 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.511 -1.276 . . . . 1.5900000000000001 109.121 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.479 ' CE1' ' HG2' ' B' ' 16' ' ' ARG . 46.4 t60 -55.78 -59.28 5.09 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.101 -1.409 . . . . 1.75 108.437 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.03 -27.36 62.66 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 116.957 -1.897 . . . . 1.8600000000000001 112.271 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' B' ' 40' ' ' SER . 2.9 m-70 -61.62 -33.69 74.36 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.754 -1.978 . . . . 2.8999999999999999 107.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.51 79.32 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.482 -1.687 . . . . 0.77000000000000002 106.907 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.442 ' HB2' ' HD2' ' B' ' 16' ' ' ARG . 50.0 t0 -68.44 -29.34 67.97 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 114.553 -1.203 . . . . 1.45 107.929 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.28 -39.0 88.8 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 117.425 -1.71 . . . . 2.02 106.658 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.38 -39.05 91.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 116.856 -1.938 . . . . 2.2000000000000002 105.987 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.437 ' CE1' ' HG ' ' B' ' 9' ' ' LEU . 27.3 t80 -61.05 -27.23 68.19 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.162 -1.415 . . . . 2.2599999999999998 108.992 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.419 HH11 ' CG ' ' B' ' 46' ' ' ASP . 20.6 mtm180 -91.16 -75.61 0.47 Allowed 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.488 -0.885 . . . . 2.8399999999999999 110.233 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -50.07 -39.07 41.11 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.759 -0.776 . . . . 2.3999999999999999 112.994 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 34' ' ' GLN . 51.2 m -71.54 -32.21 67.89 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 115.689 -2.404 . . . . 2.75 108.573 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -59.68 -34.91 73.48 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 117.13 -1.828 . . . . 1.9199999999999999 106.166 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.19 83.64 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.119 -1.832 . . . . 2.1099999999999999 107.959 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -69.77 -9.42 54.5 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.137 -1.025 . . . . 4.0099999999999998 110.406 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 . . . . . 0 C--N 1.298 -1.666 0 C-N-CA 117.741 -1.584 . . . . 3.1099999999999999 112.033 -179.166 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.617 0.246 . . . . 2.5299999999999998 110.587 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -57.86 -43.34 85.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.371 -1.344 . . . . 4.3700000000000001 107.371 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -66.79 -41.01 88.31 Favored 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 117.827 -1.549 . . . . 2.0499999999999998 110.195 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.9 -31.87 73.31 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.708 -1.197 . . . . 1.02 108.444 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.527 ' HG ' ' CE2' ' A' ' 49' ' ' TYR . 30.2 tp -66.08 -39.85 90.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.959 -2.237 . . . . 2.8900000000000001 104.959 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -67.64 -35.3 78.65 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 118.327 -1.349 . . . . 2.6400000000000001 108.326 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.9 mmm -64.55 -39.06 93.06 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.053 -1.459 . . . . 2.9100000000000001 109.138 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.26 90.5 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.902 -1.519 . . . . 0.88 107.669 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -65.65 -25.27 67.28 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 114.156 -1.384 . . . . 3.8199999999999998 107.608 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.8 -38.24 76.56 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.248 -1.781 . . . . 3.4900000000000002 107.189 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.0 mm -61.92 -41.61 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 117.814 -1.554 . . . . 1.1399999999999999 106.852 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 28.3 ttm-85 -55.08 -50.7 68.5 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.2 -1.4 . . . . 3.21 107.98 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -65.91 -27.82 68.47 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.311 -1.313 . . . . 0.81999999999999995 112.972 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.44 -49.44 59.9 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 102.787 -3.042 . . . . 1.8 102.787 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.4 m -56.06 -26.12 47.91 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 113.663 -1.608 . . . . 0.59999999999999998 109.636 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -73.7 -47.54 38.77 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 117.084 -1.846 . . . . 1.96 107.198 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -56.07 -38.52 70.76 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.903 -1.147 . . . . 1.2 107.903 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -66.05 -48.26 71.63 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 118.306 -1.358 . . . . 2.4199999999999999 107.623 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -44.71 -49.94 10.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 124.851 1.345 . . . . 1.49 108.505 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.89 -59.67 4.32 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 113.63 -1.623 . . . . 1.8899999999999999 107.88 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -57.44 -26.1 60.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.583 -1.189 . . . . 2.1299999999999999 111.936 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.83 -33.65 64.24 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 117.357 -1.737 . . . . 1.71 107.691 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.421 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.1 m-80 -67.6 -43.11 81.27 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 117.318 -1.753 . . . . 2.3199999999999998 107.839 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -61.19 -44.7 96.87 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.567 -1.197 . . . . 2.6099999999999999 112.337 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.97 29.31 1.22 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.422 -1.311 . . . . 2.4500000000000002 114.258 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 48.03 70.33 0.45 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.984 1.428 . . . . 2.4500000000000002 108.419 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.34 52.94 1.34 Allowed 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 104.544 -2.391 . . . . 1.04 104.544 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -61.89 -51.04 69.79 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.107 -1.861 . . . . 2.8300000000000001 111.786 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.68 -43.82 65.82 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 123.761 1.743 . . . . 2.1499999999999999 108.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -62.11 -33.65 74.86 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 112.103 -2.317 . . . . 2.52 108.038 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.72 72.24 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.486 -1.286 . . . . 0.69999999999999996 108.638 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.69 -49.18 62.92 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 118.743 -1.183 . . . . 1.6699999999999999 110.662 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.03 -35.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 C-N-CA 117.891 -1.524 . . . . 1.74 107.598 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.18 -27.73 68.9 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.555 -1.258 . . . . 1.1200000000000001 109.538 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.75 -40.12 69.57 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.473 -1.677 . . . . 2.8199999999999998 106.473 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -60.11 -34.18 73.15 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 117.798 -1.561 . . . . 0.83999999999999997 107.434 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -74.72 -36.1 62.68 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.836 -1.145 . . . . 1.5900000000000001 108.06 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.434 ' CE1' ' CG ' ' A' ' 16' ' ' ARG . 83.7 t60 -53.31 -49.69 66.49 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.341 -1.754 . . . . 1.75 109.844 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 18.6 t70 -87.33 -28.11 22.44 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 117.011 -1.876 . . . . 1.8600000000000001 112.271 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -70.65 -17.92 62.86 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 116.71 -1.996 . . . . 2.8999999999999999 106.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.35 62.86 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 104.728 -2.323 . . . . 0.77000000000000002 104.728 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 7.9 t70 -75.58 -6.57 50.98 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 112.993 -1.912 . . . . 1.45 108.952 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 49' ' ' TYR . 5.9 tp10 -65.41 -39.93 92.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 101.793 -3.41 . . . . 2.02 101.793 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 84.9 mt -72.17 5.32 2.86 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 114.521 -1.218 . . . . 2.2000000000000002 110.247 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.527 ' CE2' ' HG ' ' A' ' 9' ' ' LEU . 43.5 t80 -104.29 -58.71 1.84 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 105.026 -2.213 . . . . 2.2599999999999998 105.026 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.404 HH11 ' CD ' ' A' ' 47' ' ' GLU . 8.9 ptp180 -65.03 -53.24 48.99 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 2.8399999999999999 111.175 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -60.18 -39.41 86.39 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.769 -1.172 . . . . 2.3999999999999999 110.15 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.517 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 87.1 m -69.41 -33.58 73.2 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 116.339 -2.144 . . . . 2.75 108.868 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.55 -27.27 69.05 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.684 -1.599 . . . . 1.9199999999999999 106.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.611 0 C-N-CA 116.741 -1.983 . . . . 2.1099999999999999 109.287 179.692 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 109.678 -0.49 . . . . 2.5299999999999998 109.678 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.464 ' HB3' ' HZ1' ' B' ' 6' ' ' LYS . 0.1 OUTLIER -59.6 -38.08 80.28 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.17 -1.412 . . . . 4.3700000000000001 108.049 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -67.03 -54.73 18.85 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 117.407 -1.717 . . . . 2.0499999999999998 109.421 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.09 72.09 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.565 -0.854 . . . . 1.02 111.612 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 105.974 -1.862 . . . . 2.8900000000000001 105.974 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -67.17 -25.74 66.3 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 112.863 -1.971 . . . . 2.6400000000000001 110.857 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.6 mmm -71.99 -38.48 69.67 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 117.854 -1.538 . . . . 2.9100000000000001 109.378 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.5 90.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 105.882 -1.895 . . . . 0.88 105.882 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -64.72 -25.89 68.13 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.712 -1.586 . . . . 3.8199999999999998 106.849 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -72.54 -33.64 67.0 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.342 -1.743 . . . . 3.4900000000000002 107.764 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.73 -39.55 85.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 103.94 -2.615 . . . . 1.1399999999999999 103.94 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.502 HH21 ' CG ' ' B' ' 42' ' ' HIS . 56.9 mtp85 -61.85 -36.22 80.59 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 115.869 -2.332 . . . . 3.21 108.201 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -65.86 -35.52 80.89 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.026 -1.469 . . . . 0.81999999999999995 109.393 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.0 -59.6 2.82 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.834 -1.147 . . . . 1.8 108.214 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -47.7 -35.07 9.06 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.184 -1.371 . . . . 0.59999999999999998 111.223 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.14 -53.65 55.24 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.275 -1.75 . . . . 1.96 106.275 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -60.58 -17.31 45.7 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 112.874 -1.966 . . . . 1.2 111.166 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.75 -33.61 16.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.3 -1.36 . . . . 2.4199999999999999 109.496 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.17 -45.11 91.87 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 105.653 -1.98 . . . . 1.49 105.653 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -43.53 -68.55 0.19 Allowed 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 111.449 -2.614 . . . . 1.8899999999999999 109.047 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -63.08 -57.58 10.16 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 112.497 -2.138 . . . . 2.1299999999999999 114.866 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.18 -38.36 11.74 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.53 -0.868 . . . . 1.71 111.023 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.06 -55.86 29.55 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.585 -1.246 . . . . 2.3199999999999998 109.58 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' B' ' 30' ' ' ASP . 18.2 mm-40 -63.96 -22.89 67.12 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.575 -1.25 . . . . 2.6099999999999999 110.447 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -86.92 29.47 0.81 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.791 -1.164 . . . . 2.4500000000000002 109.572 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' B' ' 28' ' ' GLU . 25.7 t70 37.47 49.36 0.97 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 125.775 1.922 . . . . 2.4500000000000002 108.866 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.32 52.04 1.25 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 100.471 -3.9 . . . . 1.04 100.471 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.89 -34.97 78.51 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.212 -1.813 . . . . 2.8300000000000001 110.564 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -51.89 67.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.317 -2.475 . . . . 2.1499999999999999 104.317 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.517 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 26.3 mp0 -66.35 -16.28 63.94 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.764 -1.562 . . . . 2.52 110.239 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.54 -44.86 70.07 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.572 -2.01 . . . . 0.69999999999999996 105.572 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.98 -56.17 25.15 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.011 -1.477 . . . . 1.6699999999999999 107.011 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -52.3 -31.77 15.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.654 -2.066 . . . . 1.74 109.228 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 38.2 t -67.79 -44.49 77.24 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 118.293 -1.363 . . . . 1.1200000000000001 108.493 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.8 -31.57 68.37 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 117.875 -1.53 . . . . 2.8199999999999998 109.386 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.2 m -68.14 -33.4 74.42 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 117.751 -1.58 . . . . 0.83999999999999997 107.756 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.47 -40.1 67.23 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.616 -1.994 . . . . 1.5900000000000001 105.616 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.502 ' CG ' HH21 ' B' ' 16' ' ' ARG . 8.9 t60 -48.51 -59.48 3.46 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 112.583 -2.099 . . . . 1.75 110.12 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.462 ' CG ' HH22 ' B' ' 16' ' ' ARG . 3.4 m-20 -79.83 -17.49 53.15 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 116.666 -2.014 . . . . 1.8600000000000001 112.385 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.55 -30.74 71.77 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.288 -2.486 . . . . 2.8999999999999999 104.288 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.11 -28.44 64.32 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.442 -1.303 . . . . 0.77000000000000002 108.403 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.465 ' HB2' ' NH1' ' B' ' 16' ' ' ARG . 19.5 t70 -64.13 -33.76 76.5 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.372 -1.286 . . . . 1.45 109.076 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -54.19 -46.44 72.39 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 118.815 -1.154 . . . . 2.02 108.669 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -57.23 -44.58 83.92 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.172 -1.411 . . . . 2.2000000000000002 108.177 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -56.65 -49.87 73.75 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 124.871 1.357 . . . . 2.2599999999999998 110.908 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -58.81 -51.27 70.72 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.574 -1.25 . . . . 2.8399999999999999 108.142 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -59.34 -26.68 65.25 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.178 -1.374 . . . . 2.3999999999999999 110.173 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 92.2 m -76.52 -27.66 56.08 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 117.85 -1.54 . . . . 2.75 107.553 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.4 -36.44 81.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 105.314 -2.106 . . . . 1.9199999999999999 105.314 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.42 5.81 0.71 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.711 -1.196 . . . . 2.1099999999999999 113.282 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -129.02 -55.39 1.2 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.701 -1.592 . . . . 4.0099999999999998 106.701 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 . . . . . 0 C--N 1.296 -1.73 0 CA-C-N 112.759 -2.019 . . . . 3.1099999999999999 110.614 -179.316 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 123.279 1.514 . . . . 2.5299999999999998 106.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 20.2 mmtp -69.53 -31.83 70.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.769 -2.014 . . . . 4.3700000000000001 108.918 -177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -73.59 -24.51 60.07 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 116.58 -2.048 . . . . 2.0499999999999998 105.913 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -57.5 4.74 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.604 -1.238 . . . . 1.02 112.348 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.521 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 2.6 pt? -68.48 -27.94 66.59 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.111 -2.636 . . . . 2.8900000000000001 108.658 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -66.76 -36.96 83.65 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 115.831 -2.348 . . . . 2.6400000000000001 106.823 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.414 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 43.0 tpp -63.3 -45.51 91.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.999 -1.482 . . . . 2.9100000000000001 106.999 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.08 69.3 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.123 -1.031 . . . . 0.88 109.383 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -66.05 -39.7 90.33 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.289 -2.115 . . . . 3.8199999999999998 105.289 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 9.4 m-85 -72.32 -24.5 61.32 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.425 -1.31 . . . . 3.4900000000000002 109.835 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.96 -37.07 79.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 103.991 -2.596 . . . . 1.1399999999999999 103.991 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 47.9 ttp180 -64.57 -37.74 88.62 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.333 -1.747 . . . . 3.21 106.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -60.45 -38.6 84.68 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.95 -1.5 . . . . 0.81999999999999995 108.042 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.98 -40.08 92.08 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 117.546 -1.662 . . . . 1.8 107.018 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 m -59.84 -30.7 69.13 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.879 -1.128 . . . . 0.59999999999999998 108.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.69 -58.58 5.9 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 104.032 -2.581 . . . . 1.96 104.032 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -53.49 -19.61 3.86 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.802 -1.09 . . . . 1.2 110.795 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.81 -36.25 23.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.45 -1.3 . . . . 2.4199999999999999 109.846 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 tp -50.49 -59.66 3.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 124.406 1.066 . . . . 1.49 111.037 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 3.8 mp0 -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 125.006 1.441 . . . . 1.8899999999999999 108.747 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -51.21 -47.48 62.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.361 -1.29 . . . . 2.1299999999999999 111.403 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.54 -33.85 68.53 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.552 -1.259 . . . . 1.71 110.966 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -69.76 -53.55 17.85 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 117.613 -1.635 . . . . 2.3199999999999998 110.171 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.53 -26.46 68.72 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.526 -1.27 . . . . 2.6099999999999999 110.782 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -89.97 14.14 12.96 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.346 -0.942 . . . . 2.4500000000000002 110.434 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' HH21 ' B' ' 55' ' ' ARG . 19.3 t0 48.75 71.66 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 123.222 1.487 . . . . 2.4500000000000002 109.288 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.98 55.05 1.72 Allowed 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 103.668 -2.715 . . . . 1.04 103.668 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.57 -39.47 64.83 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.621 -1.627 . . . . 2.8300000000000001 109.408 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 34' ' ' GLN . 8.9 pt-20 -60.33 -41.47 93.62 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.903 -1.519 . . . . 2.1499999999999999 108.28 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.558 ' HG3' ' SG ' ' B' ' 52' ' ' CYS . 91.1 mm-40 -74.74 -14.44 60.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.794 -1.562 . . . . 2.52 108.691 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -56.92 6.94 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 104.217 -2.512 . . . . 0.69999999999999996 104.217 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -50.61 -55.55 15.83 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 117.653 -1.619 . . . . 1.6699999999999999 110.242 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.3 mm -55.42 -31.53 27.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 112.93 -1.941 . . . . 1.74 109.193 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.2 t -71.23 -43.33 67.52 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.27 -1.372 . . . . 1.1200000000000001 110.025 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.5 76.02 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 117.99 -1.484 . . . . 2.8199999999999998 107.945 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -59.96 -31.85 70.26 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.619 -1.173 . . . . 0.83999999999999997 109.773 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -74.45 -35.43 63.33 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.717 -1.216 . . . . 1.5900000000000001 107.717 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 19.9 t60 -57.42 -59.82 4.58 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 112.425 -2.17 . . . . 1.75 108.726 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.43 -40.57 96.0 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 117.404 -1.719 . . . . 1.8600000000000001 110.698 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -61.21 -28.58 69.25 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.101 -1.84 . . . . 2.8999999999999999 109.392 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.67 65.69 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.378 -2.453 . . . . 0.77000000000000002 104.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -73.03 -16.2 61.5 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 117.659 -1.616 . . . . 1.45 106.686 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.81 -36.8 56.66 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 104.488 -2.412 . . . . 2.02 104.488 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.94 -31.83 73.25 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 104.458 -2.423 . . . . 2.2000000000000002 104.458 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.432 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 83.4 t80 -69.66 -43.24 72.99 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.219 -0.992 . . . . 2.2599999999999998 109.844 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -64.13 -63.52 1.13 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.5 -0.926 . . . . 2.8399999999999999 108.5 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.1 m -50.0 -43.36 50.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.553 -1.203 . . . . 2.3999999999999999 111.887 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 9' ' ' LEU . 28.6 p -72.9 -29.94 63.54 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 116.184 -2.207 . . . . 2.75 108.962 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.8 -25.48 66.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.009 -1.848 . . . . 1.9199999999999999 106.009 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 C-N-CA 116.866 -1.934 . . . . 2.1099999999999999 106.75 179.592 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' B' ' 5' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 105.474 -2.047 . . . . 2.5299999999999998 105.474 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.44 ' CE ' ' HA ' ' B' ' 6' ' ' LYS . 0.4 OUTLIER -69.82 -28.25 65.55 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 118.422 -1.311 . . . . 4.3700000000000001 109.109 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -68.57 -48.46 64.17 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 117.341 -1.743 . . . . 2.0499999999999998 107.137 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.99 79.29 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.427 -1.309 . . . . 1.02 109.38 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.12 -49.19 72.38 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 113.902 -1.499 . . . . 2.8900000000000001 111.971 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -69.01 -34.94 76.07 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.197 -1.401 . . . . 2.6400000000000001 111.71 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 93.8 mtp -70.11 -36.6 74.97 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 117.958 -1.497 . . . . 2.9100000000000001 109.15 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.91 73.03 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.849 -1.908 . . . . 0.88 105.849 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -70.96 -25.16 62.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 105.746 -1.946 . . . . 3.8199999999999998 105.746 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -32.73 59.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.719 -1.586 . . . . 3.4900000000000002 106.719 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -59.22 -48.04 88.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 103.525 -2.769 . . . . 1.1399999999999999 103.525 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -55.88 -36.41 67.59 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 118.002 -1.479 . . . . 3.21 110.578 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -64.44 -56.68 12.65 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 117.606 -1.638 . . . . 0.81999999999999995 109.235 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -54.79 -60.45 3.34 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.688 0.756 . . . . 1.8 109.951 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -51.85 -31.22 26.91 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.183 -1.826 . . . . 0.59999999999999998 110.946 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.18 -49.17 53.07 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 116.98 -1.888 . . . . 1.96 108.431 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -70.63 -19.95 62.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 117.538 -1.665 . . . . 1.2 108.207 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 tp -72.76 -43.65 62.58 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.687 -1.968 . . . . 2.4199999999999999 105.687 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.59 -51.97 61.31 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.558 -1.645 . . . . 1.49 106.558 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -48.01 -59.77 3.11 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.593 -1.64 . . . . 1.8899999999999999 108.523 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -59.33 -28.75 67.1 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.666 -1.152 . . . . 2.1299999999999999 111.574 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 74.4 mt -67.28 -42.82 83.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 116.794 -1.963 . . . . 1.71 106.325 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -57.44 -42.42 82.41 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.416 -1.313 . . . . 2.3199999999999998 109.656 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -62.87 -34.43 77.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.323 -1.351 . . . . 2.6099999999999999 110.105 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.96 28.23 1.42 Allowed 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.399 -0.921 . . . . 2.4500000000000002 109.878 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 50.88 17.6 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.126 0.891 . . . . 2.4500000000000002 111.034 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.59 50.46 1.91 Allowed 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.768 -0.773 . . . . 1.04 109.571 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -62.96 -32.51 73.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 124.296 0.998 . . . . 2.8300000000000001 110.707 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.79 -50.4 73.37 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.887 -2.264 . . . . 2.1499999999999999 104.887 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -64.91 -23.15 67.14 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.914 -1.494 . . . . 2.52 109.107 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.67 70.75 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.414 -1.714 . . . . 0.69999999999999996 108.268 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -60.21 -49.6 76.98 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.311 -1.737 . . . . 1.6699999999999999 106.311 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.31 -34.4 50.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 112.124 -2.307 . . . . 1.74 107.739 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 34.9 t -72.86 -29.56 63.3 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 118.666 -1.214 . . . . 1.1200000000000001 109.799 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.72 -52.7 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.817 -1.549 . . . . 2.8199999999999998 106.817 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.5 m -59.56 -34.49 72.75 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.294 -1.321 . . . . 0.83999999999999997 109.124 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.42 -39.07 81.74 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.192 -1.403 . . . . 1.5900000000000001 108.808 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.91 -54.56 40.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.029 -1.441 . . . . 1.75 109.647 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.89 -47.11 81.27 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.294 1.045 . . . . 1.8600000000000001 109.973 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.55 -32.18 73.09 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 113.523 -1.671 . . . . 2.8999999999999999 108.565 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.17 -21.28 46.65 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.525 -1.287 . . . . 0.77000000000000002 107.525 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.431 ' HB3' ' NH1' ' B' ' 50' ' ' ARG . 33.7 t0 -78.23 -8.9 58.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.405 -1.331 . . . . 1.45 107.405 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' B' ' 49' ' ' TYR . 22.1 mm-40 -70.85 -38.13 73.14 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 116.292 -2.163 . . . . 2.02 105.801 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.408 ' O ' ' SG ' ' B' ' 52' ' ' CYS . 8.0 mp -65.68 -4.29 6.09 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 114.104 -1.407 . . . . 2.2000000000000002 108.722 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' B' ' 47' ' ' GLU . 56.6 t80 -107.94 -82.91 0.55 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 100.281 -3.97 . . . . 2.2599999999999998 100.281 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 30.8 mtm180 -33.42 -70.86 0.07 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.126 1.528 . . . . 2.8399999999999999 115.126 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -57.77 -34.99 70.17 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.754 -1.179 . . . . 2.3999999999999999 109.893 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.558 ' SG ' ' HG3' ' A' ' 34' ' ' GLN . 77.5 m -70.37 -26.62 63.8 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 116.076 -2.25 . . . . 2.75 109.197 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.84 -39.93 90.93 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 103.481 -2.785 . . . . 1.9199999999999999 103.481 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.26 68.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 117.082 -1.847 . . . . 2.1099999999999999 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.442 HH21 ' CG ' ' A' ' 30' ' ' ASP . 10.5 mmm180 -77.29 -19.1 56.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 117.991 -1.484 . . . . 4.0099999999999998 111.967 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 . . . . . 0 N--CA 1.491 1.622 0 C-N-CA 118.365 -1.334 . . . . 3.1099999999999999 108.915 -179.091 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.111 0.958 . . . . 2.5299999999999998 108.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -63.86 -22.33 66.87 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.973 -1.491 . . . . 4.3700000000000001 112.507 -178.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 5.9 m -78.16 -38.02 44.54 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 116.408 -2.117 . . . . 2.0499999999999998 109.301 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.1 75.32 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.756 -2.313 . . . . 1.02 104.756 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -58.18 -65.35 0.66 Allowed 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 113.353 -1.749 . . . . 2.8900000000000001 109.54 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.405 HD21 ' N ' ' A' ' 11' ' ' MET . 0.4 OUTLIER -61.91 -21.13 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 118.065 -1.454 . . . . 2.6400000000000001 112.257 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.405 ' N ' HD21 ' A' ' 10' ' ' ASN . 75.9 mmm -84.9 -21.85 29.53 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 117.094 -1.842 . . . . 2.9100000000000001 108.568 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.36 -45.39 76.44 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 102.678 -3.082 . . . . 0.88 102.678 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -59.39 -26.8 65.43 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 111.551 -2.568 . . . . 3.8199999999999998 108.119 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.63 -49.54 68.31 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.366 -1.734 . . . . 3.4900000000000002 107.645 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.0 mt -57.6 -38.58 64.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 C-N-CA 118.552 -1.259 . . . . 1.1399999999999999 108.179 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 ttt180 -56.16 -43.61 78.5 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 118.365 -1.334 . . . . 3.21 107.505 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 m -63.78 -43.69 95.6 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.687 -1.205 . . . . 0.81999999999999995 110.698 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.92 -48.55 75.49 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 118.057 -1.457 . . . . 1.8 109.51 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.7 m -56.78 -35.48 68.74 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.451 -1.25 . . . . 0.59999999999999998 111.265 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.64 -45.92 92.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.747 -1.575 . . . . 1.96 106.747 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -58.82 -37.17 75.79 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 114.015 -1.448 . . . . 1.2 108.484 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.07 -44.98 96.56 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.096 -1.842 . . . . 2.4199999999999999 108.899 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.8 tp -49.72 -45.27 49.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 124.347 1.029 . . . . 1.49 108.651 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.34 -43.21 88.2 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.686 -1.143 . . . . 1.8899999999999999 108.967 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.4 -36.5 84.16 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 116.9 -1.92 . . . . 2.1299999999999999 110.175 -178.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 HD21 ' SG ' ' A' ' 38' ' ' CYS . 11.0 mp -70.66 -22.37 62.5 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.538 -1.665 . . . . 1.71 107.832 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -64.49 -35.15 80.03 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.501 -1.666 . . . . 2.3199999999999998 106.501 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -53.44 57.48 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 118.367 -1.333 . . . . 2.6099999999999999 108.134 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ALA . 10.4 mp -89.98 25.7 2.05 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.27 -0.972 . . . . 2.4500000000000002 112.348 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.429 ' CG ' HH22 ' B' ' 55' ' ' ARG . 6.7 p-10 33.84 31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 125.443 1.715 . . . . 2.4500000000000002 112.7 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -68.69 86.17 0.32 Allowed 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.073 -1.051 . . . . 1.04 109.373 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.67 -52.63 63.56 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 125.102 1.501 . . . . 2.8300000000000001 110.876 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -57.14 7.59 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.082 -1.417 . . . . 2.1499999999999999 110.224 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -72.39 -15.08 61.85 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 117.432 -1.707 . . . . 2.52 110.144 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.05 78.59 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 103.667 -2.716 . . . . 0.69999999999999996 103.667 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.58 -53.62 56.3 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 117.448 -1.701 . . . . 1.6699999999999999 107.761 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.1 mt -52.62 -34.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 C-N-CA 117.947 -1.501 . . . . 1.74 109.558 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.462 ' SG ' HD21 ' A' ' 26' ' ' LEU . 55.6 m -70.04 -37.96 75.73 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 117.599 -1.64 . . . . 1.1200000000000001 111.062 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.08 -47.48 51.12 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 117.954 -1.498 . . . . 2.8199999999999998 108.691 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.5 m -59.45 -35.04 73.3 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 118.741 -1.184 . . . . 0.83999999999999997 108.369 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -72.13 -42.65 65.77 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.019 0.914 . . . . 1.5900000000000001 108.566 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.475 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 84.4 t60 -52.06 -50.98 60.44 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 112.921 -1.945 . . . . 1.75 108.552 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.06 -24.04 38.09 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.886 -1.506 . . . . 1.8600000000000001 112.27 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CE1' HG22 ' B' ' 37' ' ' ILE . 67.2 t60 -65.18 -35.82 82.27 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.22 -2.141 . . . . 2.8999999999999999 105.22 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.17 69.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 105.955 -1.868 . . . . 0.77000000000000002 105.955 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' CG ' ' NH1' ' A' ' 16' ' ' ARG . 36.9 t70 -68.34 -16.58 63.99 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.078 -1.449 . . . . 1.45 110.247 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' ' 49' ' ' TYR . 9.4 mm-40 -65.01 -33.22 75.53 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 116.016 -2.274 . . . . 2.02 105.898 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.39 11.36 0.79 Allowed 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 113.623 -1.626 . . . . 2.2000000000000002 108.832 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.516 ' H ' ' C ' ' A' ' 47' ' ' GLU . 44.6 t80 -120.15 -37.03 3.13 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 103.054 -2.943 . . . . 2.2599999999999998 103.054 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -75.28 -79.75 0.09 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.518 -1.219 . . . . 2.8399999999999999 112.716 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -55.96 -21.2 19.6 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.558 -0.857 . . . . 2.3999999999999999 111.029 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.504 ' SG ' ' HG3' ' B' ' 34' ' ' GLN . 50.9 m -73.57 -47.69 38.62 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 117.724 -1.591 . . . . 2.75 106.82 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.5 -32.29 73.17 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 117.591 -1.644 . . . . 1.9199999999999999 108.328 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.458 0 C-N-CA 118.692 -1.203 . . . . 2.1099999999999999 110.708 -179.261 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 107.555 -1.276 . . . . 2.5299999999999998 107.555 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -57.58 -26.01 60.83 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.173 -1.376 . . . . 4.3700000000000001 109.075 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.7 m -78.17 -34.97 49.36 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.38 -1.328 . . . . 2.0499999999999998 110.737 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.3 70.07 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 106.095 -1.817 . . . . 1.02 106.095 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tt -56.56 -52.84 63.28 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 111.391 -2.641 . . . . 2.8900000000000001 105.084 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.18 -49.5 73.85 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.559 -1.655 . . . . 2.6400000000000001 110.041 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.9 mmm -55.58 -39.49 70.76 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.214 -0.994 . . . . 2.9100000000000001 111.353 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.14 86.13 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.668 -1.613 . . . . 0.88 107.939 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.489 ' HB2' ' CE1' ' B' ' 49' ' ' TYR . 2.8 tpm_? -67.62 -39.97 84.68 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 117.338 -1.745 . . . . 3.8199999999999998 109.958 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -65.66 -45.69 81.96 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.633 -1.227 . . . . 3.4900000000000002 109.895 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.6 mt -53.72 -44.87 60.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 CA-C-N 115.439 -0.8 . . . . 1.1399999999999999 109.329 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.499 HH11 ' CG ' ' B' ' 42' ' ' HIS . 52.9 ttt85 -49.98 -52.98 29.56 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 118.428 -1.309 . . . . 3.21 107.961 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -53.79 -49.37 68.44 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.057 -1.429 . . . . 0.81999999999999995 110.57 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.08 -39.37 78.37 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 118.478 -1.289 . . . . 1.8 110.552 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -59.97 -34.91 73.92 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 117.826 -1.55 . . . . 0.59999999999999998 109.626 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.45 -44.45 96.38 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 117.355 -1.738 . . . . 1.96 106.385 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -61.57 -37.22 83.03 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.593 -1.243 . . . . 1.2 110.617 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.66 -32.58 68.06 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 118.168 -1.413 . . . . 2.4199999999999999 109.389 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.66 -53.03 60.17 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.998 -1.081 . . . . 1.49 109.79 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.464 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 17.3 mt-10 -43.69 -57.07 3.39 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 125.552 1.783 . . . . 1.8899999999999999 108.866 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.464 ' HZ3' ' CD ' ' B' ' 24' ' ' GLU . 35.5 mmtm -57.44 -50.87 71.61 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 111.9 -2.409 . . . . 2.1299999999999999 112.134 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -55.81 -29.41 59.7 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.19 -1.404 . . . . 1.71 110.223 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -67.15 -40.03 86.64 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 117.571 -1.652 . . . . 2.3199999999999998 107.241 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.41 -32.48 64.45 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.828 -1.149 . . . . 2.6099999999999999 111.458 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 25' ' ' LYS . 44.5 mt -77.24 20.21 0.29 Allowed 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 115.187 1.551 . . . . 2.4500000000000002 115.187 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.82 33.3 16.72 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 105.97 -1.863 . . . . 2.4500000000000002 105.97 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.407 ' HB3' ' CG ' ' B' ' 34' ' ' GLN . . . -111.45 68.97 0.67 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.326 -1.361 . . . . 1.04 107.326 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' B' ' 33' ' ' GLU . 11.1 p-10 -59.85 -58.6 7.84 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.235 -1.802 . . . . 2.8300000000000001 112.151 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.43 ' H ' ' CG ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -64.12 -24.82 67.83 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.303 -1.359 . . . . 2.1499999999999999 109.994 -179.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.504 ' HG3' ' SG ' ' A' ' 52' ' ' CYS . 3.5 mm-40 -74.39 -27.68 60.75 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 116.496 -2.082 . . . . 2.52 105.782 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -58.16 8.33 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 104.505 -2.406 . . . . 0.69999999999999996 104.505 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.62 -59.02 3.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 125.076 1.485 . . . . 1.6699999999999999 111.377 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' ' 44' ' ' HIS . 72.2 mt -55.01 -30.85 24.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 CA-C-N 113.851 -1.522 . . . . 1.74 109.876 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 51.5 t -80.52 -27.22 37.72 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.696 -1.202 . . . . 1.1200000000000001 110.346 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.93 -41.86 64.09 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.523 -2.399 . . . . 2.8199999999999998 104.523 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 26.7 m -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.044 -1.836 . . . . 0.83999999999999997 106.044 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.33 -39.74 88.13 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.369 -0.932 . . . . 1.5900000000000001 108.798 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.499 ' CG ' HH11 ' B' ' 16' ' ' ARG . 3.0 t60 -52.65 -53.67 43.9 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 113.459 -1.7 . . . . 1.75 110.182 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.21 -29.71 34.47 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.15 -1.82 . . . . 1.8600000000000001 112.227 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.56 -26.24 67.03 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 117.519 -1.672 . . . . 2.8999999999999999 108.532 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.18 74.73 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.276 -2.861 . . . . 0.77000000000000002 103.276 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.411 ' HB3' HH12 ' B' ' 50' ' ' ARG . 33.7 t0 -77.21 -20.53 55.18 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 113.242 -1.799 . . . . 1.45 106.83 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.46 -36.59 73.99 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 116.481 -2.088 . . . . 2.02 106.692 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.41 HD23 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -64.73 -43.77 92.31 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.988 -2.597 . . . . 2.2000000000000002 103.988 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 80.7 t80 -54.77 -45.98 74.32 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.553 -1.203 . . . . 2.2599999999999998 110.896 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.411 HH12 ' HB3' ' B' ' 46' ' ' ASP . 56.8 mtm-85 -67.18 -55.76 12.78 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.635 -0.826 . . . . 2.8399999999999999 110.476 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.0 m -56.12 -25.21 45.01 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.451 -1.25 . . . . 2.3999999999999999 110.405 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.472 ' SG ' ' CD2' ' B' ' 56' ' ' PHE . 52.4 t -66.73 -47.48 72.17 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.064 -2.198 . . . . 2.75 105.064 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.45 -37.66 73.21 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.003 -1.479 . . . . 1.9199999999999999 108.159 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.22 -60.34 3.32 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 115.121 1.526 . . . . 2.1099999999999999 115.121 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.429 HH22 ' CG ' ' A' ' 30' ' ' ASP . 26.4 ttt180 -85.66 -34.01 21.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 116.658 -2.017 . . . . 4.0099999999999998 112.081 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.472 ' CD2' ' SG ' ' B' ' 52' ' ' CYS . 2.2 m-30 . . . . . 0 C--N 1.298 -1.659 0 C-N-CA 116.53 -2.068 . . . . 3.1099999999999999 107.605 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 21.8 mp0 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 104.038 -2.579 . . . . 2.5299999999999998 104.038 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.58 -32.91 71.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.753 -1.579 . . . . 4.3700000000000001 107.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 m -69.46 -37.99 77.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.52 -1.672 . . . . 2.0499999999999998 107.2 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -27.01 67.49 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.972 -1.091 . . . . 1.02 109.2 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.89 -41.71 97.64 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 104.978 -2.23 . . . . 2.8900000000000001 104.978 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -71.1 -35.88 71.98 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.007 -1.477 . . . . 2.6400000000000001 112.512 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.471 ' SD ' ' HG ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -72.67 -29.61 63.57 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 115.818 -2.353 . . . . 2.9100000000000001 107.917 -178.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 105.715 -1.957 . . . . 0.88 105.715 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 38.5 ttm180 -63.08 -30.51 71.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.578 -1.647 . . . . 3.8199999999999998 107.556 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.38 -47.93 83.58 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.209 -1.797 . . . . 3.4900000000000002 108.037 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.85 -36.8 63.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.825 -1.15 . . . . 1.1399999999999999 108.056 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.463 HH21 ' CD2' ' A' ' 42' ' ' HIS . 18.1 mtp180 -61.8 -52.37 64.47 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.188 -1.805 . . . . 3.21 110.683 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -61.53 -34.15 75.05 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.856 -1.066 . . . . 0.81999999999999995 110.914 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.46 -54.17 36.66 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.153 -1.795 . . . . 1.8 106.153 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -60.78 -26.53 67.32 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.159 -1.837 . . . . 0.59999999999999998 109.502 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.34 -55.32 14.31 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 117.784 -1.566 . . . . 1.96 107.199 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -67.39 -19.12 65.36 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.984 -1.462 . . . . 1.2 108.896 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.05 -35.41 56.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.991 -1.855 . . . . 2.4199999999999999 105.991 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.86 -53.79 54.37 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 105.781 -1.933 . . . . 1.49 105.781 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.6 -67.34 0.27 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.746 -2.479 . . . . 1.8899999999999999 109.255 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -53.15 -29.57 32.04 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 113.975 -1.466 . . . . 2.1299999999999999 113.089 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.68 -35.64 72.91 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.516 -1.674 . . . . 1.71 107.719 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -64.67 -36.84 85.56 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.345 -1.724 . . . . 2.3199999999999998 106.345 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -71.59 -32.69 68.31 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.05 -1.06 . . . . 2.6099999999999999 110.335 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp -89.29 20.67 3.66 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.077 -1.049 . . . . 2.4500000000000002 110.838 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.456 ' CG ' HH21 ' B' ' 55' ' ' ARG . 36.5 t70 54.44 72.3 0.47 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 124.423 1.077 . . . . 2.4500000000000002 108.268 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.76 121.43 13.41 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.33 -1.729 . . . . 1.04 106.33 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -105.3 -68.52 0.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 124.95 1.406 . . . . 2.8300000000000001 108.168 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -44.63 -42.12 7.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.922 1.389 . . . . 2.1499999999999999 110.715 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -69.18 -40.25 78.21 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.422 -1.311 . . . . 2.52 109.282 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.4 96.43 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.227 -1.389 . . . . 0.69999999999999996 109.285 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -58.7 -63.29 1.34 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.361 -0.936 . . . . 1.6699999999999999 109.635 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -27.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.905 -1.118 . . . . 1.74 109.682 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.09 -42.87 93.67 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.871 -1.529 . . . . 1.1200000000000001 106.871 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -66.6 -36.39 82.5 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 106.352 -1.721 . . . . 2.8199999999999998 106.352 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -64.3 -30.92 71.95 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 116.84 -1.944 . . . . 0.83999999999999997 107.935 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.28 -34.89 68.52 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 104.43 -2.433 . . . . 1.5900000000000001 104.43 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' HH21 ' A' ' 16' ' ' ARG . 63.0 t60 -61.88 -53.76 51.3 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.108 -1.037 . . . . 1.75 110.824 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.82 -38.26 79.75 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 117.879 -1.528 . . . . 1.8600000000000001 110.751 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -65.88 -28.5 69.0 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 115.968 -2.293 . . . . 2.8999999999999999 107.173 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.73 -26.04 59.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 104.119 -2.548 . . . . 0.77000000000000002 104.119 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 50' ' ' ARG . 40.9 t0 -71.39 -29.61 65.14 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 104.722 -2.325 . . . . 1.45 104.722 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 49' ' ' TYR . 57.2 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 102.462 -3.162 . . . . 2.02 102.462 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 tp -75.65 16.41 0.39 Allowed 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.345 -1.298 . . . . 2.2000000000000002 109.311 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.587 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 70.4 t80 -128.85 -24.39 2.96 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.795 -1.558 . . . . 2.2599999999999998 106.795 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.469 HH21 ' CG ' ' A' ' 47' ' ' GLU . 79.9 mtm180 -103.26 -63.1 1.21 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.322 -1.362 . . . . 2.8399999999999999 107.322 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 m -59.76 -30.92 69.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 105.107 -2.182 . . . . 2.3999999999999999 105.107 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 49' ' ' TYR . 11.9 p -72.05 -31.85 66.54 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 116.301 -2.159 . . . . 2.75 108.383 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.42 -25.86 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.387 -1.338 . . . . 1.9199999999999999 107.387 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.693 0 C-N-CA 117.943 -1.503 . . . . 2.1099999999999999 109.259 179.107 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.449 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 66.3 mt-10 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 106.919 -1.511 . . . . 2.5299999999999998 106.919 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -62.28 -23.58 66.79 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.066 -1.454 . . . . 4.3700000000000001 110.201 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -73.58 -49.04 28.31 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.261 -1.755 . . . . 2.0499999999999998 106.261 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.224 -1.028 . . . . 1.02 108.224 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.44 -42.23 98.43 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.246 -1.391 . . . . 2.8900000000000001 107.246 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.85 -37.05 85.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.045 -1.462 . . . . 2.6400000000000001 109.226 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.86 -39.86 94.23 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.15 -1.42 . . . . 2.9100000000000001 109.865 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.65 95.0 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.302 -1.359 . . . . 0.88 108.542 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.438 ' HB2' ' CE1' ' B' ' 49' ' ' TYR . 41.5 ttm180 -64.72 -32.43 74.1 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.348 -1.341 . . . . 3.8199999999999998 107.968 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.16 -49.29 76.44 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.435 -1.706 . . . . 3.4900000000000002 108.308 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mt -53.84 -43.1 55.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 C-N-CA 118.697 -1.201 . . . . 1.1399999999999999 109.122 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.548 HH21 ' CD2' ' B' ' 42' ' ' HIS . 25.5 ttt85 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.67 -1.612 . . . . 3.21 108.827 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -69.38 -33.79 73.57 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.326 -0.95 . . . . 0.81999999999999995 111.252 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.51 -44.84 93.12 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.673 -1.603 . . . . 1.8 106.673 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.418 HG23 ' SG ' ' B' ' 38' ' ' CYS . 25.6 m -63.66 -39.79 95.22 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 113.38 -1.736 . . . . 0.59999999999999998 109.797 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.452 ' HB2' ' CE1' ' B' ' 42' ' ' HIS . 67.1 tp -61.59 -58.77 6.78 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.282 -1.367 . . . . 1.96 110.982 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -59.45 -38.45 80.74 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.257 -1.338 . . . . 1.2 110.746 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.471 ' HG ' ' SD ' ' A' ' 11' ' ' MET . 3.5 mm? -69.69 -27.99 65.47 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 116.969 -1.892 . . . . 2.4199999999999999 109.557 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.2 -46.1 75.87 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.195 -1.402 . . . . 1.49 107.739 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -52.35 -57.43 9.8 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.879 -1.897 . . . . 1.8899999999999999 105.879 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -59.38 -23.08 62.28 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 112.649 -2.069 . . . . 2.1299999999999999 112.018 -177.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.17 -33.22 65.32 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 116.068 -2.253 . . . . 1.71 105.148 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -65.94 -50.79 63.12 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 117.679 -1.608 . . . . 2.3199999999999998 107.729 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.39 -33.91 73.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.231 -0.895 . . . . 2.6099999999999999 110.793 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 31' ' ' ALA . 74.6 mt -90.01 39.71 0.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.223 -0.899 . . . . 2.4500000000000002 109.635 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 34.03 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 O-C-N 126.202 2.189 . . . . 2.4500000000000002 114.711 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -108.15 46.39 0.96 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 103.929 -2.619 . . . . 1.04 103.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.511 -1.222 . . . . 2.8300000000000001 109.555 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.0 OUTLIER -59.72 -42.17 92.49 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 105.686 -1.968 . . . . 2.1499999999999999 105.686 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -68.59 -22.67 64.44 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 117.447 -1.701 . . . . 2.52 108.676 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.92 94.4 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 106.03 -1.841 . . . . 0.69999999999999996 106.03 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -54.06 50.47 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 123.041 1.4 . . . . 1.6699999999999999 109.043 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 57.1 mt -56.6 -30.54 32.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 113.07 -1.877 . . . . 1.74 108.297 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' B' ' 19' ' ' THR . 33.7 t -75.86 -26.68 57.34 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.068 -1.053 . . . . 1.1200000000000001 110.163 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -68.86 -43.84 74.56 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.5 -2.037 . . . . 2.8199999999999998 105.5 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -58.87 -51.72 68.79 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 117.614 -1.634 . . . . 0.83999999999999997 107.602 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.1 -33.63 69.31 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.118 -0.946 . . . . 1.5900000000000001 109.612 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.548 ' CD2' HH21 ' B' ' 16' ' ' ARG . 30.1 t60 -59.08 -55.43 35.21 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.273 -1.33 . . . . 1.75 109.929 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 16.7 t70 -79.14 -17.69 54.56 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 115.812 -2.355 . . . . 1.8600000000000001 110.021 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.616 -1.994 . . . . 2.8999999999999999 105.616 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.57 64.24 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 103.945 -2.613 . . . . 0.77000000000000002 103.945 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.92 -26.39 36.8 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.387 -1.725 . . . . 1.45 107.454 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.502 ' CD ' HH11 ' B' ' 50' ' ' ARG . 46.9 mm-40 -58.9 -35.34 72.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 104.072 -2.566 . . . . 2.02 104.072 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.86 -50.08 58.52 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 117.879 -1.528 . . . . 2.2000000000000002 107.119 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 64.7 t80 -49.48 -62.65 1.43 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 113.7 -1.591 . . . . 2.2599999999999998 112.402 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.502 HH11 ' CD ' ' B' ' 47' ' ' GLU . 12.1 ptp180 -58.46 -37.53 75.65 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.773 -0.648 . . . . 2.8399999999999999 110.309 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 73.1 m -66.94 -25.96 66.6 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 117.219 -1.792 . . . . 2.3999999999999999 109.757 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.1 m -69.44 -48.46 60.84 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.511 -2.403 . . . . 2.75 104.511 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.55 -22.8 64.05 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 114.418 -1.265 . . . . 1.9199999999999999 109.51 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.12 -59.07 2.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 117.624 -1.63 . . . . 2.1099999999999999 110.887 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.456 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.4 ttt180 -67.56 -52.29 40.46 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 117.934 -1.507 . . . . 4.0099999999999998 110.409 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 15.6 m-85 . . . . . 0 C--N 1.3 -1.578 0 C-N-CA 118.339 -1.344 . . . . 3.1099999999999999 109.503 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.214 -0.777 0 CA-C-O 122.214 1.007 . . . . 2.5299999999999998 110.127 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -54.49 -37.17 64.98 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.216 -1.811 . . . . 4.3700000000000001 107.819 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -59.21 -46.69 87.78 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.622 -1.172 . . . . 2.0499999999999998 109.509 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.68 83.28 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.65 -1.22 . . . . 1.02 109.04 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.09 -23.83 60.58 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 116.763 -1.975 . . . . 2.8900000000000001 108.755 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.22 -27.55 66.47 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 104.947 -2.242 . . . . 2.6400000000000001 104.947 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.5 mtp -80.76 -24.36 38.72 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.13 -1.804 . . . . 2.9100000000000001 106.13 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.29 70.57 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.441 -1.688 . . . . 0.88 106.441 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -60.24 -32.44 71.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 105.995 -1.854 . . . . 3.8199999999999998 105.995 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -64.83 -36.76 85.36 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.614 -1.634 . . . . 3.4900000000000002 108.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.56 -40.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 105.785 -1.932 . . . . 1.1399999999999999 105.785 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.502 ' HE ' ' CE1' ' A' ' 42' ' ' HIS . 9.5 ttt85 -58.0 -50.03 74.79 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 105.73 -1.952 . . . . 3.21 105.73 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 m -55.22 -34.55 64.05 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.581 -1.19 . . . . 0.81999999999999995 113.267 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -63.47 -46.87 84.19 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.086 -1.846 . . . . 1.8 106.417 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -63.55 -21.23 66.23 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.544 -2.116 . . . . 0.59999999999999998 109.299 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -69.59 -59.48 2.94 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.845 -2.65 . . . . 1.96 103.845 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -21.55 30.1 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 113.675 -1.602 . . . . 1.2 110.415 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.63 -40.21 23.27 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 117.316 -1.754 . . . . 2.4199999999999999 107.093 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.2 -59.71 4.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.224 -1.353 . . . . 1.49 110.601 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.462 ' CD ' ' HZ2' ' A' ' 25' ' ' LYS . 2.8 pt-20 -55.1 -49.29 72.09 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.901 -1.12 . . . . 1.8899999999999999 111.788 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HZ2' ' CD ' ' A' ' 24' ' ' GLU . 9.6 mmtm -58.97 -41.95 88.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.527 -1.269 . . . . 2.1299999999999999 111.675 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.72 -40.79 98.3 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.368 -1.733 . . . . 1.71 107.64 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.1 -46.6 82.46 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.3 -1.318 . . . . 2.3199999999999998 108.947 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.0 -26.14 67.4 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 113.919 -1.491 . . . . 2.6099999999999999 110.653 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.99 25.0 2.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.852 -1.139 . . . . 2.4500000000000002 108.26 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 51.97 18.72 0.85 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.729 1.268 . . . . 2.4500000000000002 110.31 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB2' ' NE2' ' A' ' 34' ' ' GLN . . . -96.5 60.54 1.9 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 104.775 -2.306 . . . . 1.04 104.775 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.83 -25.19 62.73 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.321 -1.752 . . . . 2.8300000000000001 110.121 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.91 -50.83 72.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.039 -2.208 . . . . 2.1499999999999999 105.039 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' A' ' 31' ' ' ALA . 52.6 mt-30 -67.44 -25.98 66.18 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 110.953 -2.84 . . . . 2.52 108.407 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.24 79.84 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 117.011 -1.876 . . . . 0.69999999999999996 107.063 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.27 -57.21 13.19 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.483 -1.287 . . . . 1.6699999999999999 109.793 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.69 -32.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 114.061 -1.427 . . . . 1.74 108.661 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 117.805 -1.558 . . . . 1.1200000000000001 110.73 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.69 -48.03 23.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 102.119 -3.289 . . . . 2.8199999999999998 102.119 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -52.18 -33.83 42.44 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 118.052 -1.459 . . . . 0.83999999999999997 109.247 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 tp -75.86 -36.6 59.53 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.309 -1.737 . . . . 1.5900000000000001 106.309 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.502 ' CE1' ' HE ' ' A' ' 16' ' ' ARG . 12.7 t60 -58.85 -63.75 1.18 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.635 -1.62 . . . . 1.75 108.629 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.95 -18.55 64.1 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 117.392 -1.723 . . . . 1.8600000000000001 111.376 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -44.63 89.58 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 104.657 -2.349 . . . . 2.8999999999999999 104.657 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.45 -26.32 68.39 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.538 -1.265 . . . . 0.77000000000000002 108.142 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' CB ' ' NH1' ' A' ' 16' ' ' ARG . 15.0 t70 -78.56 -31.49 47.38 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 117.51 -1.676 . . . . 1.45 108.444 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.37 -42.59 98.87 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.83 -1.548 . . . . 2.02 112.04 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -69.61 -4.08 17.76 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 116.477 -2.089 . . . . 2.2000000000000002 110.41 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.43 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 6.9 t80 -115.02 -6.09 12.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 124.716 1.26 . . . . 2.2599999999999998 108.438 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -108.94 -91.73 0.44 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.005 -0.998 . . . . 2.8399999999999999 113.376 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -53.91 -40.24 66.51 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 118.306 -1.358 . . . . 2.3999999999999999 108.801 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.95 -44.19 85.75 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.073 -1.851 . . . . 2.75 107.412 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 26.5 tp -55.56 -24.27 31.54 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 116.535 -2.066 . . . . 1.9199999999999999 112.014 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.717 0 O-C-N 125.13 1.519 . . . . 2.1099999999999999 107.154 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.904 0.383 . . . . 2.5299999999999998 110.712 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -32.33 73.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.727 -1.953 . . . . 4.3700000000000001 105.727 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -64.95 -36.82 85.61 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 106.548 -1.649 . . . . 2.0499999999999998 106.548 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.2 99.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.655 -1.618 . . . . 1.02 107.477 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.21 -34.52 75.22 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.595 -1.242 . . . . 2.8900000000000001 108.618 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -63.58 -31.35 72.49 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 117.945 -1.502 . . . . 2.6400000000000001 109.266 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 43.3 tpp -66.05 -41.36 90.95 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.427 -1.709 . . . . 2.9100000000000001 107.661 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.83 80.88 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.545 -1.28 . . . . 0.88 107.545 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -63.4 -32.67 74.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.712 -1.586 . . . . 3.8199999999999998 107.982 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.12 -39.52 86.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 118.23 -1.388 . . . . 3.4900000000000002 109.736 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.57 -48.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 105.744 -1.947 . . . . 1.1399999999999999 105.744 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.423 HH12 ' HB2' ' B' ' 46' ' ' ASP . 17.0 ttm-85 -50.18 -42.91 52.07 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.26 -1.337 . . . . 3.21 109.497 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -57.05 -50.96 71.14 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.261 -1.376 . . . . 0.81999999999999995 109.757 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.98 -35.2 77.8 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 117.525 -1.67 . . . . 1.8 110.534 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -55.22 -47.8 74.83 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 118.346 -1.341 . . . . 0.59999999999999998 107.812 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.25 -36.09 80.97 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.247 -1.381 . . . . 1.96 107.981 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -62.41 -27.2 68.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.193 -1.403 . . . . 1.2 108.602 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.05 -21.87 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.298 -1.361 . . . . 2.4199999999999999 109.588 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.41 -48.59 74.14 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 105.138 -2.171 . . . . 1.49 105.138 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -46.78 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 110.943 -2.844 . . . . 1.8899999999999999 109.474 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -55.59 -59.09 5.33 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 111.381 -2.645 . . . . 2.1299999999999999 113.077 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -51.03 -31.06 17.13 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.068 -1.053 . . . . 1.71 111.282 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -74.26 -56.73 4.55 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 117.735 -1.586 . . . . 2.3199999999999998 110.0 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' B' ' 30' ' ' ASP . 46.1 mm-40 -62.25 -13.41 27.8 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.205 -0.998 . . . . 2.6099999999999999 110.152 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -82.86 20.64 1.14 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.45 -0.9 . . . . 2.4500000000000002 108.583 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' B' ' 28' ' ' GLU . 16.3 t70 55.28 75.49 0.31 Allowed 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.507 1.13 . . . . 2.4500000000000002 109.039 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.53 71.11 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 112.982 -1.917 . . . . 1.04 106.805 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.76 -29.89 67.11 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.392 -1.336 . . . . 2.8300000000000001 107.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.74 -62.62 1.73 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.594 -2.002 . . . . 2.1499999999999999 105.594 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -55.33 -23.7 25.22 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.437 -1.256 . . . . 2.52 110.165 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.69 58.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.569 -1.653 . . . . 0.69999999999999996 108.529 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.43 -63.65 1.05 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 117.968 -1.493 . . . . 1.6699999999999999 108.665 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 35.8 mm -44.54 -37.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 125.691 1.869 . . . . 1.74 109.828 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 40.3 t -60.46 -52.91 63.18 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 117.169 -1.812 . . . . 1.1200000000000001 107.252 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -75.87 -4.59 41.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 115.915 -2.314 . . . . 2.8199999999999998 112.115 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -74.64 -32.86 62.4 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 100.825 -3.768 . . . . 0.83999999999999997 100.825 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.6 tp -67.08 -45.71 76.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 105.186 -2.153 . . . . 1.5900000000000001 105.186 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -50.23 -56.61 10.38 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 113.964 -1.471 . . . . 1.75 109.248 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.33 -53.81 48.83 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.719 -1.128 . . . . 1.8600000000000001 112.04 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.04 -27.4 65.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.556 -1.202 . . . . 2.8999999999999999 110.587 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.14 67.12 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.36 -1.736 . . . . 0.77000000000000002 108.154 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.423 ' HB2' HH12 ' B' ' 16' ' ' ARG . 32.5 t0 -72.09 -28.53 63.37 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 116.92 -1.912 . . . . 1.45 107.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.87 -43.53 88.08 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 116.464 -2.094 . . . . 2.02 105.666 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -20.51 66.13 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.065 -1.425 . . . . 2.2000000000000002 107.63 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -97.71 -89.58 0.29 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 118.106 -1.438 . . . . 2.2599999999999998 109.325 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -39.33 -60.54 0.9 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 114.455 1.28 . . . . 2.8399999999999999 114.455 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.4 m -59.12 -54.37 47.79 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 117.704 -1.598 . . . . 2.3999999999999999 108.456 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 56' ' ' PHE . 58.4 m -71.79 3.27 4.32 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 115.826 -2.35 . . . . 2.75 111.052 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -42.42 11.16 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 115.499 -2.48 . . . . 1.9199999999999999 106.423 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.13 -42.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 125.233 1.583 . . . . 2.1099999999999999 111.399 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -117.8 -7.81 10.92 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 115.105 -0.952 . . . . 4.0099999999999998 109.654 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' B' ' 52' ' ' CYS . 26.2 t80 . . . . . 0 N--CA 1.485 1.311 1 N-CA-C 90.634 -7.543 . . . . 3.1099999999999999 90.634 -174.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.665 0.745 . . . . 2.5299999999999998 110.235 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.06 -33.43 74.37 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.605 -1.257 . . . . 4.3700000000000001 107.605 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 m -74.15 -33.29 63.45 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.249 -1.38 . . . . 2.0499999999999998 107.464 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.55 70.71 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.298 -0.961 . . . . 1.02 109.827 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 mt -74.01 -50.92 17.63 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.825 -1.55 . . . . 2.8900000000000001 108.464 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.46 -34.53 66.97 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.134 -1.432 . . . . 2.6400000000000001 107.134 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.561 ' SD ' HD11 ' B' ' 22' ' ' LEU . 12.4 tmm? -69.08 -46.66 67.22 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.462 -1.245 . . . . 2.9100000000000001 109.894 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.82 71.55 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.653 -1.219 . . . . 0.88 108.402 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -70.99 -32.95 69.93 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 105.117 -2.179 . . . . 3.8199999999999998 105.117 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -67.33 -44.02 80.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.102 -1.439 . . . . 3.4900000000000002 108.483 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.3 -40.45 81.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 106.024 -1.843 . . . . 1.1399999999999999 106.024 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.82 -33.33 75.44 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.428 -1.709 . . . . 3.21 107.982 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 m -66.05 -35.66 81.14 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 106.809 -1.552 . . . . 0.81999999999999995 106.809 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.02 -34.67 73.57 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.512 -1.675 . . . . 1.8 107.91 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -64.84 -24.86 67.67 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 117.946 -1.502 . . . . 0.59999999999999998 107.203 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -48.88 56.04 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 102.035 -3.32 . . . . 1.96 102.035 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 114.43 -1.259 . . . . 1.2 109.765 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 83.6 mt -85.02 -38.51 19.12 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.264 -1.375 . . . . 2.4199999999999999 107.649 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.58 -35.0 75.01 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.154 -1.795 . . . . 1.49 106.154 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -61.82 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 112.973 -1.921 . . . . 1.8899999999999999 107.456 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -45.74 -40.92 10.08 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.31 -1.768 . . . . 2.1299999999999999 114.41 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.57 -42.85 86.42 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 116.721 -1.992 . . . . 1.71 107.848 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -66.07 -55.73 15.07 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 117.706 -1.598 . . . . 2.3199999999999998 112.573 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.56 -33.2 73.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 117.858 -1.537 . . . . 2.6099999999999999 111.416 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.7 mp -86.19 21.67 1.97 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.69 -1.604 . . . . 2.4500000000000002 111.695 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.1 t70 54.39 75.22 0.3 Allowed 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.518 1.152 . . . . 2.4500000000000002 110.025 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -146.33 55.45 1.15 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 101.966 -3.346 . . . . 1.04 101.966 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -52.36 -49.5 64.22 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 112.442 -2.163 . . . . 2.8300000000000001 113.325 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.31 -32.77 73.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 117.023 -1.871 . . . . 2.1499999999999999 108.767 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.3 -25.5 62.46 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 117.071 -1.851 . . . . 2.52 106.079 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -53.35 31.28 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.076 -1.824 . . . . 0.69999999999999996 106.076 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -45.12 -56.0 5.16 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 122.68 1.229 . . . . 1.6699999999999999 110.367 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.04 -39.1 77.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-N 113.774 -1.557 . . . . 1.74 109.317 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 22' ' ' LEU . 41.2 t -68.23 -30.83 69.98 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.178 -1.009 . . . . 1.1200000000000001 112.221 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -42.78 63.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.489 -1.671 . . . . 2.8199999999999998 106.489 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 m -63.29 -30.94 71.98 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.882 -1.525 . . . . 0.83999999999999997 106.882 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -74.43 -29.56 61.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.11 -1.441 . . . . 1.5900000000000001 107.11 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -64.32 -49.11 73.05 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.042 -1.436 . . . . 1.75 108.322 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.2 -42.58 93.42 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.128 -1.429 . . . . 1.8600000000000001 107.939 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -58.68 -31.74 68.48 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 113.733 -1.576 . . . . 2.8999999999999999 109.265 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.531 -2.026 . . . . 0.77000000000000002 105.531 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -75.37 -20.99 58.66 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.241 -1.784 . . . . 1.45 106.322 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -72.06 -39.19 69.23 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 104.548 -2.39 . . . . 2.02 104.548 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.8 tp -63.97 -12.19 35.42 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.818 -1.549 . . . . 2.2000000000000002 106.818 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -97.4 -31.45 12.37 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.522 -1.658 . . . . 2.2599999999999998 106.522 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 -77.59 -63.44 1.38 Allowed 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 112.834 0.679 . . . . 2.8399999999999999 112.834 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 p -54.36 -41.08 68.73 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.425 -1.31 . . . . 2.3999999999999999 109.613 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 48' ' ' LEU . 96.9 m -62.65 -45.69 91.67 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.566 -1.654 . . . . 2.75 108.137 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.39 -24.7 66.68 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.486 -1.286 . . . . 1.9199999999999999 109.089 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.581 0 C-N-CA 116.884 -1.926 . . . . 2.1099999999999999 107.128 -179.704 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.532 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 32.8 mt-10 . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 122.017 0.913 . . . . 2.5299999999999998 108.733 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.62 -35.2 73.88 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.259 -1.337 . . . . 4.3700000000000001 108.982 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -63.53 -44.4 94.37 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.138 -1.43 . . . . 2.0499999999999998 107.138 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.93 72.27 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.689 -1.204 . . . . 1.02 108.965 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.81 -44.84 90.93 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.383 -1.71 . . . . 2.8900000000000001 106.383 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -66.75 -31.08 71.49 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 114.251 -1.341 . . . . 2.6400000000000001 110.357 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 37.8 mmt -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.503 -1.679 . . . . 2.9100000000000001 108.343 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.52 92.86 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.754 -1.578 . . . . 0.88 107.453 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -62.76 -30.03 71.13 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 118.638 -1.225 . . . . 3.8199999999999998 109.499 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.21 -55.72 25.78 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.291 -1.364 . . . . 3.4900000000000002 109.216 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.15 -31.95 27.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 112.881 -1.963 . . . . 1.1399999999999999 108.056 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.526 ' HB2' ' CZ ' ' B' ' 16' ' ' ARG . 23.9 ttm105 -65.53 -47.98 74.05 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 118.378 -1.329 . . . . 3.21 110.038 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -54.64 -47.41 73.54 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.085 -0.961 . . . . 0.81999999999999995 111.041 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -66.41 -43.94 84.34 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 115.523 -2.471 . . . . 1.8 109.198 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -54.1 -33.71 58.34 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.123 -1.031 . . . . 0.59999999999999998 109.867 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.97 -56.53 19.98 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.155 -1.795 . . . . 1.96 106.155 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -61.95 -26.78 68.4 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.169 -1.012 . . . . 1.2 111.046 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.561 HD11 ' SD ' ' A' ' 11' ' ' MET . 66.5 mt -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.477 -1.289 . . . . 2.4199999999999999 109.584 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.07 -47.81 74.38 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.005 -2.591 . . . . 1.49 104.005 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.485 ' HA ' ' ND2' ' B' ' 27' ' ' ASN . 35.0 tt0 -56.96 -42.65 80.53 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 112.552 -2.113 . . . . 1.8899999999999999 108.099 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.465 ' HA ' ' HZ1' ' B' ' 25' ' ' LYS . 6.4 mmtm -62.36 -30.17 70.99 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 117.353 -1.739 . . . . 2.1299999999999999 110.756 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.74 -43.95 67.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 115.796 -2.362 . . . . 1.71 106.827 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.485 ' ND2' ' HA ' ' B' ' 24' ' ' GLU . 7.2 p30 -75.81 -11.44 59.98 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 117.8 -1.56 . . . . 2.3199999999999998 109.795 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' B' ' 30' ' ' ASP . 42.2 tt0 -71.93 -46.59 57.05 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.686 -2.709 . . . . 2.6099999999999999 103.686 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' B' ' 31' ' ' ALA . 39.0 mt -89.99 40.04 0.99 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.44 -1.709 . . . . 2.4500000000000002 107.196 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' B' ' 28' ' ' GLU . 5.1 p-10 34.21 21.03 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 126.809 2.568 . . . . 2.4500000000000002 114.585 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.69 63.99 4.78 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 103.318 -2.845 . . . . 1.04 103.318 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.37 -27.28 68.45 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.021 -1.445 . . . . 2.8300000000000001 108.919 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' B' ' 34' ' ' GLN . 1.4 mp0 -63.92 -50.17 69.77 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 104.732 -2.322 . . . . 2.1499999999999999 104.732 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.451 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -69.18 -14.67 63.11 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 116.341 -2.144 . . . . 2.52 109.069 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.94 69.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.209 -2.145 . . . . 0.69999999999999996 105.209 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.39 -47.35 84.17 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 117.843 -1.543 . . . . 1.6699999999999999 108.737 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.05 -33.61 43.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 113.918 -1.492 . . . . 1.74 107.864 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.74 -38.58 86.93 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.167 -1.79 . . . . 1.1200000000000001 106.167 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.56 -19.29 60.39 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.177 -1.809 . . . . 2.8199999999999998 109.272 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -68.73 -37.46 79.47 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 101.846 -3.39 . . . . 0.83999999999999997 101.846 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.03 -40.06 87.14 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 106.636 -1.616 . . . . 1.5900000000000001 106.636 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -53.64 -59.94 3.95 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.52 -0.764 . . . . 1.75 110.039 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.76 -44.73 84.99 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.893 1.071 . . . . 1.8600000000000001 113.893 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.24 -23.51 65.72 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.482 -1.687 . . . . 2.8999999999999999 108.898 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.3 -24.0 46.89 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 103.629 -2.73 . . . . 0.77000000000000002 103.629 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.504 ' HB3' ' NH1' ' B' ' 50' ' ' ARG . 8.3 t70 -80.0 -18.69 49.61 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 105.767 -1.938 . . . . 1.45 105.767 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' B' ' 49' ' ' TYR . 19.0 mm-40 -65.58 -26.56 67.91 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 104.459 -2.422 . . . . 2.02 104.459 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -83.82 38.48 0.64 Allowed 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.109 -1.812 . . . . 2.2000000000000002 106.109 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.544 ' H ' ' C ' ' B' ' 47' ' ' GLU . 30.3 t80 -148.58 -43.94 0.15 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 100.975 -3.713 . . . . 2.2599999999999998 100.975 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.504 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 41.4 mtm-85 -74.55 -70.01 0.43 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 105.866 -1.901 . . . . 2.8399999999999999 105.866 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.8 m -57.29 -38.75 74.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.433 -1.258 . . . . 2.3999999999999999 108.264 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 65.4 m -63.37 -35.83 81.71 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 116.206 -2.198 . . . . 2.75 109.972 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -71.25 -23.22 61.95 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.172 -1.411 . . . . 1.9199999999999999 107.973 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.59 69.37 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.129 -1.828 . . . . 2.1099999999999999 108.538 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -101.48 -29.49 11.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.323 -1.351 . . . . 4.0099999999999998 108.945 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.532 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 13.8 m-30 . . . . . 0 N--CA 1.491 1.603 0 CA-C-N 115.513 -0.767 . . . . 3.1099999999999999 109.883 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 103.833 -2.654 . . . . 2.5299999999999998 103.833 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -61.95 -38.07 87.1 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.183 -1.414 . . . . 4.3700000000000001 107.183 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 m -56.98 -44.07 82.33 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.65 -1.22 . . . . 2.0499999999999998 109.099 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -57.52 11.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.874 -1.53 . . . . 1.02 109.766 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.41 -12.81 59.07 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.666 -1.152 . . . . 2.8900000000000001 111.677 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.562 -1.655 . . . . 2.6400000000000001 106.753 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmm -68.31 -41.16 81.27 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 105.98 -1.859 . . . . 2.9100000000000001 105.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.15 73.62 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.669 -1.212 . . . . 0.88 108.544 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 36.4 ttp180 -62.17 -43.77 98.08 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 106.175 -1.787 . . . . 3.8199999999999998 106.175 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.44 ' CE1' ' NH2' ' A' ' 13' ' ' ARG . 23.5 m-85 -62.04 -37.44 84.96 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 117.268 -1.773 . . . . 3.4900000000000002 108.851 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -59.6 -41.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 C-N-CA 116.859 -1.936 . . . . 1.1399999999999999 107.439 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.557 HH21 ' CG ' ' A' ' 42' ' ' HIS . 22.8 ttt85 -61.14 -36.63 80.28 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.642 -1.623 . . . . 3.21 107.588 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.42 -40.5 95.89 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.289 -1.364 . . . . 0.81999999999999995 109.337 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.35 -33.01 74.33 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.054 -1.459 . . . . 1.8 108.322 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.7 m -64.82 -28.18 69.39 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.012 -1.477 . . . . 0.59999999999999998 107.012 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.72 -51.44 64.96 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 103.308 -2.849 . . . . 1.96 103.308 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 m -53.11 -35.25 59.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.211 -1.396 . . . . 1.2 110.021 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.08 -45.03 90.52 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 116.726 -1.989 . . . . 2.4199999999999999 107.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.29 -48.83 45.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 124.321 1.013 . . . . 1.49 108.486 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -51.96 -68.08 0.2 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.816 -1.538 . . . . 1.8899999999999999 110.696 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 -40.64 37.39 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 113.925 -1.488 . . . . 2.1299999999999999 111.178 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.36 -39.21 92.03 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 118.471 -1.292 . . . . 1.71 110.102 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.1 -44.66 83.74 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 117.748 -1.581 . . . . 2.3199999999999998 108.519 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.13 -46.2 86.03 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.241 -1.345 . . . . 2.6099999999999999 111.668 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.71 24.4 2.36 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.719 -1.192 . . . . 2.4500000000000002 112.455 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.8 t0 48.44 70.72 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 122.92 1.343 . . . . 2.4500000000000002 111.598 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.73 60.8 1.69 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 102.377 -3.194 . . . . 1.04 102.377 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.86 -47.54 84.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.894 -1.503 . . . . 2.8300000000000001 113.076 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -40.34 85.29 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 117.091 -1.844 . . . . 2.1499999999999999 109.111 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -72.9 -22.41 60.75 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 116.978 -1.889 . . . . 2.52 107.382 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.68 78.23 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 105.662 -1.977 . . . . 0.69999999999999996 105.662 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.66 -53.76 53.9 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.596 -1.242 . . . . 1.6699999999999999 110.514 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.71 -32.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 117.965 -1.494 . . . . 1.74 107.268 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.45 -29.64 65.1 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 117.674 -1.61 . . . . 1.1200000000000001 109.393 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.2 -53.4 9.9 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.053 0.93 . . . . 2.8199999999999998 109.277 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 p -56.74 -34.03 67.14 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 118.279 -1.368 . . . . 0.83999999999999997 107.607 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -75.13 -35.32 61.7 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.84 -1.144 . . . . 1.5900000000000001 108.249 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CG ' HH21 ' A' ' 16' ' ' ARG . 1.3 t60 -51.25 -46.18 62.27 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 113.86 -1.518 . . . . 1.75 107.813 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CG ' HH22 ' A' ' 16' ' ' ARG . 4.3 m-20 -90.92 -21.3 21.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.997 -1.081 . . . . 1.8600000000000001 112.32 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.97 -39.68 94.68 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.044 -1.836 . . . . 2.8999999999999999 106.044 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.63 -15.06 63.12 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 113.451 -1.704 . . . . 0.77000000000000002 107.77 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.406 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 10.3 t70 -85.05 -28.59 25.57 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.848 -1.541 . . . . 1.45 107.239 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.12 -48.39 81.84 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 116.22 -2.192 . . . . 2.02 108.584 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.561 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 4.2 pp -67.03 -9.36 38.27 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.472 -1.691 . . . . 2.2000000000000002 109.832 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -94.5 -77.57 0.46 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.25 -0.887 . . . . 2.2599999999999998 109.094 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -68.74 -55.03 12.64 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 115.748 1.759 . . . . 2.8399999999999999 115.748 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 m -50.18 -45.91 53.87 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.179 -1.408 . . . . 2.3999999999999999 108.839 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' A' ' 48' ' ' LEU . 99.7 m -65.24 -48.63 72.62 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 117.876 -1.529 . . . . 2.75 107.959 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 tp -48.81 -21.61 0.66 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.743 -0.783 . . . . 1.9199999999999999 111.787 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 104.859 -2.275 . . . . 2.1099999999999999 104.859 178.13 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.548 ' HB2' ' CD1' ' B' ' 56' ' ' PHE . 8.7 pt-20 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 121.939 0.876 . . . . 2.5299999999999998 110.287 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -63.29 -38.25 90.41 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.4 -1.333 . . . . 4.3700000000000001 107.4 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -63.51 -33.33 75.33 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.963 -1.017 . . . . 2.0499999999999998 108.375 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.6 93.33 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 105.601 -2.0 . . . . 1.02 105.601 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.18 -28.7 68.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.47 -2.092 . . . . 2.8900000000000001 109.403 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.38 -31.66 71.56 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 117.253 -1.779 . . . . 2.6400000000000001 107.184 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 52.8 tpp -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.222 -1.77 . . . . 2.9100000000000001 106.222 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.07 -34.14 71.61 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.37 -1.332 . . . . 0.88 109.584 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.426 ' NH1' ' CD2' ' B' ' 49' ' ' TYR . 0.3 OUTLIER -64.43 -39.92 94.75 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.112 -1.435 . . . . 3.8199999999999998 107.504 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -65.67 -42.24 91.54 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.963 -1.495 . . . . 3.4900000000000002 109.761 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.44 -24.86 36.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 106.554 -1.647 . . . . 1.1399999999999999 106.554 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.515 ' CZ ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -73.78 -41.48 62.36 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.908 -1.515 . . . . 3.21 106.908 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -60.22 -40.56 90.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.638 -1.986 . . . . 0.81999999999999995 105.638 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.67 -44.83 73.68 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 118.436 -1.306 . . . . 1.8 108.499 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -55.12 -52.33 63.59 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 124.387 1.055 . . . . 0.59999999999999998 108.358 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.5 -0.88 . . . . 1.96 110.584 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -63.47 -31.47 72.64 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.206 -1.398 . . . . 1.2 108.915 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.25 -37.64 63.72 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 115.6 -2.44 . . . . 2.4199999999999999 106.793 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 tp -47.92 -51.24 24.15 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.746 -1.205 . . . . 1.49 107.746 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -49.97 -67.92 0.22 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 112.938 -1.937 . . . . 1.8899999999999999 110.411 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 1.3 mptp? -63.45 -19.04 64.38 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.312 -1.355 . . . . 2.1299999999999999 113.941 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.94 -29.28 43.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 104.975 -2.231 . . . . 1.71 104.975 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.96 -40.59 78.81 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.653 -1.98 . . . . 2.3199999999999998 105.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -67.05 -28.39 68.16 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.957 -1.02 . . . . 2.6099999999999999 109.262 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.08 14.77 11.53 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.264 -0.974 . . . . 2.4500000000000002 109.317 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.23 18.97 0.66 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 123.952 0.782 . . . . 2.4500000000000002 111.856 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 85.29 7.06 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 104.486 -2.413 . . . . 1.04 104.486 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' B' ' 33' ' ' GLU . 9.0 p-10 -69.09 -43.91 73.57 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 124.179 0.925 . . . . 2.8300000000000001 111.355 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 27.2 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.163 -1.415 . . . . 2.1499999999999999 107.374 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.62 -34.04 68.87 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 117.581 -1.648 . . . . 2.52 109.076 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -58.1 6.75 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.912 -1.515 . . . . 0.69999999999999996 112.37 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.71 -58.36 8.89 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.79 -1.564 . . . . 1.6699999999999999 111.381 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 mt -53.03 -33.39 19.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.346 -1.342 . . . . 1.74 110.074 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.62 -50.08 75.26 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.636 -2.026 . . . . 1.1200000000000001 106.72 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.71 -13.93 60.67 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 116.63 -2.028 . . . . 2.8199999999999998 112.009 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.9 m -70.37 -32.11 69.65 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 102.089 -3.3 . . . . 0.83999999999999997 102.089 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -34.82 64.7 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 105.059 -2.201 . . . . 1.5900000000000001 105.059 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.498 ' CD2' ' HG3' ' B' ' 16' ' ' ARG . 3.4 t-160 -53.21 -57.74 9.46 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.015 -1.074 . . . . 1.75 109.616 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.52 -53.86 51.11 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.246 -1.382 . . . . 1.8600000000000001 114.281 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -61.56 -35.73 78.61 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.107 -1.837 . . . . 2.8999999999999999 110.774 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.515 ' HB3' ' CZ ' ' B' ' 16' ' ' ARG . . . -70.67 -19.06 62.82 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.226 -1.39 . . . . 0.77000000000000002 107.581 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -90.27 -20.39 23.01 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.452 -1.684 . . . . 1.45 106.452 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.87 -48.75 77.65 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 104.508 -2.404 . . . . 2.02 104.508 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -52.06 -26.72 11.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 125.448 1.717 . . . . 2.2000000000000002 108.665 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.426 ' CD2' ' NH1' ' B' ' 13' ' ' ARG . 90.5 t80 -85.59 -77.66 0.29 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.267 -1.373 . . . . 2.2599999999999998 109.963 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -31.38 -90.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 121.018 3.711 . . . . 2.8399999999999999 121.018 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -51.03 -41.83 60.06 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.003 0.906 . . . . 2.3999999999999999 110.928 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 63.4 m -69.38 -29.61 67.41 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 117.08 -1.848 . . . . 2.75 110.223 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.72 -30.73 71.44 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 115.772 -2.371 . . . . 1.9199999999999999 106.519 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.89 -45.95 1.92 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 125.91 2.006 . . . . 2.1099999999999999 111.296 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -118.59 -58.08 2.0 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 123.287 1.517 . . . . 4.0099999999999998 108.156 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.548 ' CD1' ' HB2' ' B' ' 5' ' ' GLU . 91.6 t80 . . . . . 0 C--N 1.291 -1.963 1 N-CA-C 96.475 -5.38 . . . . 3.1099999999999999 96.475 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 108.02 -1.104 . . . . 2.5299999999999998 108.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.29 -33.2 72.01 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 117.125 -1.83 . . . . 4.3700000000000001 108.4 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 m -65.44 -35.6 81.4 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 106.029 -1.841 . . . . 2.0499999999999998 106.029 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.55 72.81 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 117.371 -1.732 . . . . 1.02 107.159 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.73 -23.61 66.13 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.154 -1.425 . . . . 2.8900000000000001 107.154 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.21 -30.2 71.39 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 117.552 -1.659 . . . . 2.6400000000000001 108.175 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.405 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 52.1 ttm -63.98 -45.85 87.23 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.041 -1.837 . . . . 2.9100000000000001 106.041 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.53 73.14 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.639 -1.164 . . . . 0.88 108.498 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.58 -38.15 86.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.86 -1.136 . . . . 3.8199999999999998 107.974 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 13.2 m-85 -64.84 -36.66 85.05 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.265 -1.374 . . . . 3.4900000000000002 109.958 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.37 -48.89 85.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 106.93 -1.507 . . . . 1.1399999999999999 106.93 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 46' ' ' ASP . 9.1 tmm_? -62.79 -37.55 87.15 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.944 -1.48 . . . . 3.21 110.047 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -64.69 -33.57 76.26 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.493 -1.683 . . . . 0.81999999999999995 107.46 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -64.07 -35.15 79.79 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.151 -1.796 . . . . 1.8 106.151 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -59.2 -27.06 65.37 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.729 -1.588 . . . . 0.59999999999999998 109.05 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.76 -45.04 94.56 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.672 -1.973 . . . . 1.96 105.672 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -58.89 -30.38 67.73 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.875 -1.057 . . . . 1.2 109.757 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.52 -34.24 73.98 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 117.09 -1.844 . . . . 2.4199999999999999 107.735 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.07 97.79 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 117.643 -1.623 . . . . 1.49 107.027 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -52.14 -68.1 0.2 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.964 1.415 . . . . 1.8899999999999999 110.114 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -54.44 -49.15 70.7 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.846 -1.525 . . . . 2.1299999999999999 113.189 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.01 -34.93 74.02 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 117.402 -1.719 . . . . 1.71 109.098 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 118.695 -1.202 . . . . 2.3199999999999998 109.264 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -71.07 -25.0 62.44 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.545 -0.909 . . . . 2.6099999999999999 108.545 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mp -90.01 15.07 10.71 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.956 -1.02 . . . . 2.4500000000000002 109.124 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t0 48.3 32.82 3.37 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.994 1.434 . . . . 2.4500000000000002 108.44 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 63.5 3.93 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 104.812 -2.292 . . . . 1.04 104.812 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -44.05 -58.05 3.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 125.607 1.817 . . . . 2.8300000000000001 112.033 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -52.9 -54.15 38.92 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.264 -1.374 . . . . 2.1499999999999999 111.658 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -66.1 -19.03 65.71 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 116.33 -2.148 . . . . 2.52 110.081 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.06 65.72 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.638 -1.986 . . . . 0.69999999999999996 105.638 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.78 -51.79 67.57 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.456 1.122 . . . . 1.6699999999999999 109.456 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.7 mm -57.13 -33.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 113.701 -1.591 . . . . 1.74 107.11 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.68 -32.05 69.16 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 117.759 -1.576 . . . . 1.1200000000000001 109.374 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.66 -58.77 4.92 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.06 -1.83 . . . . 2.8199999999999998 106.06 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -53.39 -32.92 51.74 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 113.687 -1.597 . . . . 0.83999999999999997 110.829 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.67 -36.76 62.8 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.227 -0.989 . . . . 1.5900000000000001 108.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.51 -47.63 84.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.238 -1.801 . . . . 1.75 107.846 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.79 -55.17 28.87 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.828 -1.078 . . . . 1.8600000000000001 110.158 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -53.07 -41.46 64.9 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 114.312 -1.313 . . . . 2.8999999999999999 111.457 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.425 -1.31 . . . . 0.77000000000000002 108.057 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 29.4 t0 -79.82 -22.78 42.62 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.192 -1.403 . . . . 1.45 107.771 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -69.25 -31.14 69.48 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 116.931 -1.908 . . . . 2.02 107.95 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.53 -31.86 68.33 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.046 -1.835 . . . . 2.2000000000000002 106.046 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.494 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 91.3 t80 -85.63 -94.39 0.08 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 103.311 -2.848 . . . . 2.2599999999999998 103.311 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -2.7 -100.38 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 1 N-CA-C 122.57 4.285 . . . . 2.8399999999999999 122.57 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -53.43 -33.24 53.28 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.447 -1.301 . . . . 2.3999999999999999 110.706 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.7 m -74.92 -33.15 61.95 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 116.188 -2.205 . . . . 2.75 107.613 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' CZ ' ' A' ' 49' ' ' TYR . 53.5 tp -54.28 -32.96 57.61 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.001 -1.481 . . . . 1.9199999999999999 107.001 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.488 0 O-C-N 126.595 2.434 . . . . 2.1099999999999999 110.994 179.88 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' CZ ' ' B' ' 56' ' ' PHE . 4.6 mp0 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 107.583 -1.266 . . . . 2.5299999999999998 107.583 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.47 -29.76 69.95 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 116.627 -2.029 . . . . 4.3700000000000001 107.963 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -69.83 -30.69 68.25 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.97 -1.863 . . . . 2.0499999999999998 105.97 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.53 78.46 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 103.885 -2.635 . . . . 1.02 103.885 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.91 -28.84 65.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.599 -1.63 . . . . 2.8900000000000001 106.599 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.18 -22.06 65.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.687 -1.605 . . . . 2.6400000000000001 108.929 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.99 -38.97 83.31 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 105.599 -2.001 . . . . 2.9100000000000001 105.599 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.59 74.25 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.499 -1.667 . . . . 0.88 106.499 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -64.42 -40.63 96.15 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.124 -1.831 . . . . 3.8199999999999998 106.59 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -60.84 -38.01 84.04 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.454 -1.699 . . . . 3.4900000000000002 108.855 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.59 -45.5 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 106.252 -1.758 . . . . 1.1399999999999999 106.252 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.568 HH21 ' CD2' ' B' ' 42' ' ' HIS . 22.3 ttt180 -58.85 -39.57 81.7 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.164 -1.415 . . . . 3.21 109.172 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.8 m -60.94 -44.97 96.49 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.01 -1.076 . . . . 0.81999999999999995 110.637 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.27 -42.92 99.17 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 117.335 -1.746 . . . . 1.8 107.504 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 45.3 m -56.35 -32.36 64.63 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.783 -1.099 . . . . 0.59999999999999998 109.327 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.39 -46.03 81.66 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 117.627 -1.629 . . . . 1.96 107.323 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -54.28 -43.16 70.78 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.455 -1.248 . . . . 1.2 108.696 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.86 -28.45 62.53 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.175 -1.41 . . . . 2.4199999999999999 109.813 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.65 -54.07 49.74 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.193 -1.41 . . . . 1.49 107.193 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.77 -58.49 7.27 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 112.978 -1.919 . . . . 1.8899999999999999 111.303 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -58.59 -36.35 73.86 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 117.149 -1.82 . . . . 2.1299999999999999 113.144 -178.176 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.49 -34.82 79.16 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 116.637 -2.025 . . . . 1.71 105.837 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.02 -39.92 91.61 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.562 -1.199 . . . . 2.3199999999999998 108.329 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -66.08 -26.78 67.64 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 118.886 -1.126 . . . . 2.6099999999999999 109.504 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.98 22.48 3.18 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.762 -1.175 . . . . 2.4500000000000002 108.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 52.08 21.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.82 1.325 . . . . 2.4500000000000002 108.576 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.12 57.53 1.27 Allowed 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.109 -1.811 . . . . 1.04 106.109 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.24 -22.7 65.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.093 -1.412 . . . . 2.8300000000000001 111.918 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -30.13 61.51 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 116.338 -2.145 . . . . 2.1499999999999999 106.903 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -76.63 -28.47 56.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 103.767 -2.679 . . . . 2.52 103.767 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.96 71.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.898 -1.889 . . . . 0.69999999999999996 105.898 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.53 -58.5 7.35 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.768 -1.173 . . . . 1.6699999999999999 109.543 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.95 -33.33 49.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 CA-C-N 114.061 -1.427 . . . . 1.74 107.777 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.84 -26.23 63.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.576 -1.25 . . . . 1.1200000000000001 109.744 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.61 -49.89 17.16 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 103.128 -2.915 . . . . 2.8199999999999998 103.128 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -52.24 -31.54 32.77 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.742 -1.117 . . . . 0.83999999999999997 108.704 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.82 -43.97 43.39 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.373 -2.084 . . . . 1.5900000000000001 105.373 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.568 ' CD2' HH21 ' B' ' 16' ' ' ARG . 51.4 t60 -48.67 -54.44 14.74 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.761 -1.563 . . . . 1.75 109.816 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.69 -19.7 22.37 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 116.291 -2.163 . . . . 1.8600000000000001 113.264 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -48.16 79.05 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.365 -2.134 . . . . 2.8999999999999999 105.547 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.29 71.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.504 -1.665 . . . . 0.77000000000000002 106.504 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 29.5 t70 -70.77 -28.22 64.52 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 117.334 -1.747 . . . . 1.45 110.438 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -64.82 -41.78 95.5 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 103.991 -2.596 . . . . 2.02 103.991 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.38 -24.73 67.3 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.14 -1.391 . . . . 2.2000000000000002 107.446 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.405 ' CZ ' HD21 ' B' ' 53' ' ' LEU . 54.0 t80 -91.09 -92.25 0.14 Allowed 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.446 -1.302 . . . . 2.2599999999999998 107.779 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -27.94 -75.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 117.002 2.223 . . . . 2.8399999999999999 117.002 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -47.29 -55.66 8.29 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.455 1.121 . . . . 2.3999999999999999 110.043 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 96.5 m -65.42 -27.79 68.79 Favored 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 119.06 -1.056 . . . . 2.75 110.145 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.405 HD21 ' CZ ' ' B' ' 49' ' ' TYR . 18.6 tp -61.75 -27.65 68.88 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 107.153 -1.425 . . . . 1.9199999999999999 107.153 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.94 -68.74 0.16 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 126.331 2.269 . . . . 2.1099999999999999 110.474 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.487 ' NH2' ' HB2' ' B' ' 55' ' ' ARG . 13.5 ttm105 -93.4 -56.71 2.83 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.067 -1.878 . . . . 4.0099999999999998 107.195 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' B' ' 5' ' ' GLU . 35.2 t80 . . . . . 0 C--N 1.292 -1.931 0 CA-C-N 109.115 -3.675 . . . . 3.1099999999999999 101.638 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.8 mpp? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.787 -0.149 . . . . 5.6600000000000001 110.962 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.2 m 66.08 11.97 8.16 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.66 0.743 . . . . 4.4500000000000002 109.689 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -89.98 -104.84 0.09 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.966 -1.016 . . . . 5.4500000000000002 110.445 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.459 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 2.3 pm0 -60.15 -28.64 68.08 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.457 0.646 . . . . 4.7599999999999998 110.84 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -57.45 -40.47 78.51 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 114.246 -1.343 . . . . 2.5299999999999998 107.966 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -27.39 55.93 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.824 -1.551 . . . . 4.3700000000000001 108.565 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.9 m -61.82 -48.16 81.85 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 117.12 -1.832 . . . . 2.0499999999999998 108.17 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.0 99.4 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 118.049 -1.461 . . . . 1.02 108.01 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.834 -1.53 . . . . 2.8900000000000001 108.761 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -78.07 -33.05 51.01 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.097 -1.041 . . . . 2.6400000000000001 108.529 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.2 mmm -65.42 -49.6 68.6 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.706 -1.598 . . . . 2.9100000000000001 109.535 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.02 97.8 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 117.754 -1.579 . . . . 0.88 109.097 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 31.2 ttp180 -64.52 -32.67 74.41 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.455 -1.298 . . . . 3.8199999999999998 108.765 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.37 -43.44 70.13 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 118.796 -1.161 . . . . 3.4900000000000002 110.391 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.4 mt -60.72 -36.76 73.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 C-N-CA 117.406 -1.718 . . . . 1.1399999999999999 108.335 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.89 -45.18 90.88 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 116.909 -1.916 . . . . 3.21 106.597 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -59.17 -43.31 92.11 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 118.725 -1.19 . . . . 0.81999999999999995 110.327 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -61.15 -39.52 90.4 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 117.457 -1.697 . . . . 1.8 108.327 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -65.34 -30.71 71.58 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.636 -1.226 . . . . 0.59999999999999998 109.313 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.1 -58.05 5.1 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.986 -2.227 . . . . 1.96 104.986 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -59.38 -20.9 58.44 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.849 -1.14 . . . . 1.2 109.956 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -73.61 -44.71 56.38 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.372 -2.085 . . . . 2.4199999999999999 105.372 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.7 -49.81 46.3 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.965 -1.865 . . . . 1.49 105.965 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' CB ' ' HZ3' ' A' ' 25' ' ' LYS . 77.9 mt-10 -51.4 -65.52 0.54 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.402 -1.272 . . . . 1.8899999999999999 112.175 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HZ3' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -53.67 -35.01 60.6 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.19 -1.368 . . . . 2.1299999999999999 111.824 -177.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.48 -39.74 85.24 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.812 -1.555 . . . . 1.71 107.765 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -65.19 -28.52 69.44 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.344 -1.743 . . . . 2.3199999999999998 108.704 -179.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -63.55 -40.55 97.3 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 117.775 -1.57 . . . . 2.6099999999999999 107.53 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.01 32.98 0.88 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 114.721 -1.127 . . . . 2.4500000000000002 111.5 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 38.85 37.96 0.24 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 124.941 1.401 . . . . 2.4500000000000002 110.461 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.2 63.81 5.1 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.047 -1.094 . . . . 1.04 108.047 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.4 p-10 -50.5 -44.9 56.15 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 125.654 1.846 . . . . 2.8300000000000001 107.749 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 8.2 tt0 -52.77 -68.46 0.17 Allowed 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 112.027 -2.351 . . . . 2.1499999999999999 109.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -58.11 -23.22 54.14 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 113.07 -1.877 . . . . 2.52 109.693 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.22 70.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.738 -1.585 . . . . 0.69999999999999996 108.21 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.25 -54.63 43.53 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.086 -1.846 . . . . 1.6699999999999999 108.828 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -54.24 -33.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 112.335 -2.211 . . . . 1.74 108.536 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 t -69.41 -38.19 77.81 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.337 -1.345 . . . . 1.1200000000000001 110.163 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.13 -35.33 76.27 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 117.247 -1.781 . . . . 2.8199999999999998 107.867 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -64.65 -32.68 74.45 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 117.444 -1.703 . . . . 0.83999999999999997 106.698 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.47 -32.9 64.58 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.623 -1.251 . . . . 1.5900000000000001 107.623 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.75 -49.64 76.7 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.777 -1.556 . . . . 1.75 107.349 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.8 -51.02 69.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.659 -1.216 . . . . 1.8600000000000001 109.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -22.69 66.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 117.99 -1.484 . . . . 2.8999999999999999 110.981 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.22 -33.5 69.94 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 102.591 -3.114 . . . . 0.77000000000000002 102.591 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' HH21 ' A' ' 50' ' ' ARG . 23.8 t0 -75.91 -33.18 59.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.28 -1.768 . . . . 1.45 106.985 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' N ' HH21 ' A' ' 50' ' ' ARG . 69.1 mm-40 -54.83 -38.53 67.53 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 117.488 -1.685 . . . . 2.02 106.743 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -48.36 66.0 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 117.064 -1.855 . . . . 2.2000000000000002 107.604 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 85.7 t80 -58.01 -61.41 2.56 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.579 1.326 . . . . 2.2599999999999998 114.579 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.415 HH21 ' HB3' ' A' ' 46' ' ' ASP . 6.3 ptp180 -51.35 -39.94 58.1 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.966 -0.753 . . . . 2.8399999999999999 108.966 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.6 m -69.96 -31.93 69.91 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.667 -1.613 . . . . 2.3999999999999999 108.794 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.9 m -68.71 -22.7 64.33 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.368 -2.086 . . . . 2.75 105.368 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.4 -23.57 27.89 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 105.454 -2.054 . . . . 1.9199999999999999 105.454 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.24 88.82 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 117.237 -1.785 . . . . 2.1099999999999999 107.231 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' CZ ' ' O ' ' B' ' 30' ' ' ASP . 24.8 ttm-85 -89.71 -59.22 2.26 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.748 -1.181 . . . . 4.0099999999999998 110.005 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.426 ' C ' ' H ' ' A' ' 58' ' ' ASP . 41.8 m-85 -82.75 29.24 0.46 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.159 -0.928 . . . . 3.1099999999999999 111.077 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' A' ' 59' ' ' ASP . . . -75.9 25.96 1.46 Allowed Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.289 -1.434 . . . . 4.8499999999999996 111.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 56' ' ' PHE . 5.6 p-10 -86.19 21.12 2.11 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.701 -1.222 . . . . 7.1900000000000004 107.701 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 57' ' ' GLY . 2.3 m-20 -63.19 91.15 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.308 -0.997 . . . . 8.6199999999999992 108.308 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.25 -20.45 0.04 OUTLIER Glycine 0 C--N 1.297 -1.62 0 C-N-CA 117.209 -2.424 . . . . 9.7400000000000002 109.684 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.63 -26.14 67.68 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 117.464 -1.695 . . . . 10.960000000000001 106.547 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.421 ' C ' HD21 ' A' ' 62' ' ' ASN . 0.3 OUTLIER -83.32 121.89 27.73 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.974 -2.232 . . . . 13.06 104.974 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 C--N 1.299 -1.608 0 N-CA-C 102.271 -3.233 . . . . 13.130000000000001 102.271 179.492 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.473 ' H3 ' ' CG ' ' B' ' 58' ' ' ASP . 39.3 mmt . . . . . 0 C--O 1.214 -0.8 0 N-CA-C 106.337 -1.727 . . . . 5.6600000000000001 106.337 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.1 m -56.32 144.85 28.87 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.678 -1.601 . . . . 4.4500000000000002 106.678 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -18.86 37.77 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.926 -1.51 . . . . 5.4500000000000002 111.706 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -70.61 -40.72 73.0 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 116.966 -1.894 . . . . 4.7599999999999998 106.776 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.6 -45.72 91.09 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.801 -1.926 . . . . 2.5299999999999998 105.801 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -39.28 82.39 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.009 -1.45 . . . . 4.3700000000000001 110.944 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -69.08 -40.98 78.13 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 117.314 -1.754 . . . . 2.0499999999999998 109.112 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.79 72.18 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 118.989 -1.084 . . . . 1.02 109.107 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.48 -48.44 71.8 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 112.765 -2.016 . . . . 2.8900000000000001 108.335 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -62.66 -32.81 73.93 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 113.864 -1.517 . . . . 2.6400000000000001 112.853 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.5 mtm -72.1 -34.15 68.4 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 116.23 -2.188 . . . . 2.9100000000000001 108.496 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.46 48.59 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 117.426 -1.71 . . . . 0.88 106.954 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.406 HH12 ' CD ' ' B' ' 61' ' ' GLU . 36.6 ttm180 -57.92 -30.99 66.38 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.877 -1.965 . . . . 3.8199999999999998 108.022 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.65 -53.01 38.57 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 118.105 -1.438 . . . . 3.4900000000000002 109.951 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.77 -32.38 46.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 118.441 -1.303 . . . . 1.1399999999999999 109.699 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.574 HH21 ' CD2' ' B' ' 42' ' ' HIS . 57.1 ttt85 -60.96 -59.31 5.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 116.285 -2.166 . . . . 3.21 108.854 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.4 m -59.17 -40.97 87.31 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.147 -0.933 . . . . 0.81999999999999995 111.948 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -55.29 -57.79 10.38 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.93 -1.137 . . . . 1.8 107.93 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -58.7 -28.27 65.63 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.067 -1.424 . . . . 0.59999999999999998 110.376 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.46 -55.34 28.57 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.021 -2.214 . . . . 1.96 105.021 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.8 m -57.6 -25.19 59.7 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.18 -1.373 . . . . 1.2 110.192 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -80.9 -30.23 35.46 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 116.366 -2.134 . . . . 2.4199999999999999 108.763 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 tt -62.11 -57.38 11.79 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.344 -1.743 . . . . 1.49 107.235 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.504 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.16 -61.1 2.89 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 117.828 -1.549 . . . . 1.8899999999999999 112.51 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.504 ' HZ2' ' CD ' ' B' ' 24' ' ' GLU . 13.0 mmtm -56.02 -37.03 68.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.853 -1.139 . . . . 2.1299999999999999 114.069 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.9 mp -73.03 -29.83 63.3 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 116.011 -2.276 . . . . 1.71 107.676 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.32 -46.07 90.37 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.787 -1.931 . . . . 2.3199999999999998 105.787 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.22 -27.78 68.24 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 113.197 -1.819 . . . . 2.6099999999999999 110.026 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 25.5 tp -89.91 20.02 4.46 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.293 -1.373 . . . . 2.4500000000000002 107.293 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.406 ' O ' ' CZ ' ' A' ' 55' ' ' ARG . 18.9 t0 51.64 74.57 0.25 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.683 -1.228 . . . . 2.4500000000000002 107.683 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.28 51.66 0.25 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 101.934 -3.358 . . . . 1.04 101.934 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.25 -35.14 74.81 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 112.821 -1.991 . . . . 2.8300000000000001 110.87 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.9 mp0 -58.02 -45.26 87.19 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.47 -1.678 . . . . 2.1499999999999999 106.47 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.22 -32.65 74.43 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.463 -2.095 . . . . 2.52 108.21 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.44 96.42 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.447 -1.301 . . . . 0.69999999999999996 109.265 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -57.2 -57.82 10.94 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.544 1.164 . . . . 1.6699999999999999 109.131 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.16 -30.28 45.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 113.26 -1.791 . . . . 1.74 109.275 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 87.8 m -67.37 -28.45 67.95 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.665 -1.614 . . . . 1.1200000000000001 108.191 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -72.01 -40.9 68.15 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.901 -1.52 . . . . 2.8199999999999998 108.014 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -36.15 77.0 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 116.446 -2.102 . . . . 0.83999999999999997 108.879 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.71 -33.43 72.49 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.957 -1.474 . . . . 1.5900000000000001 108.039 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.574 ' CD2' HH21 ' B' ' 16' ' ' ARG . 72.4 t60 -53.23 -59.0 5.13 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.102 -1.863 . . . . 1.75 109.355 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -80.7 -23.42 39.54 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 116.128 -2.229 . . . . 1.8600000000000001 112.083 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.77 -30.94 71.28 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 116.237 -2.185 . . . . 2.8999999999999999 105.849 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.51 81.22 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 104.962 -2.236 . . . . 0.77000000000000002 104.962 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 37.2 t70 -65.41 -23.22 66.9 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.176 -1.829 . . . . 1.45 108.706 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -58.3 -34.0 70.08 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 117.364 -1.734 . . . . 2.02 108.301 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.428 HD23 ' N ' ' B' ' 48' ' ' LEU . 3.6 mm? -69.85 -36.12 75.29 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.052 -1.859 . . . . 2.2000000000000002 107.347 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -51.63 66.92 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 106.63 -1.619 . . . . 2.2599999999999998 106.63 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -53.79 -57.32 11.33 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.293 -0.563 . . . . 2.8399999999999999 110.494 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -59.28 -31.72 69.37 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.434 -0.907 . . . . 2.3999999999999999 111.04 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' B' ' 48' ' ' LEU . 96.5 m -74.74 -28.9 60.96 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.711 -1.596 . . . . 2.75 108.108 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 tp -75.6 -23.19 56.43 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 105.371 -2.085 . . . . 1.9199999999999999 105.371 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.84 -62.82 1.57 Allowed 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.705 -1.598 . . . . 2.1099999999999999 109.713 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -58.42 -42.19 86.7 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.587 -1.188 . . . . 4.0099999999999998 111.39 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -97.73 -48.78 5.08 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.493 -1.283 . . . . 3.1099999999999999 113.073 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.89 27.08 73.72 Favored Glycine 0 N--CA 1.483 1.787 0 N-CA-C 104.584 -3.406 . . . . 4.8499999999999996 104.584 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.473 ' CG ' ' H3 ' ' B' ' 1' ' ' MET . 42.7 t0 -106.11 126.68 52.5 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 106.928 -1.508 . . . . 7.1900000000000004 106.928 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -149.87 -176.35 5.39 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 100.415 -3.92 . . . . 8.6199999999999992 100.415 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.66 72.14 0.32 Allowed Glycine 0 N--CA 1.483 1.771 0 N-CA-C 105.243 -3.143 . . . . 9.7400000000000002 105.243 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.406 ' CD ' HH12 ' B' ' 13' ' ' ARG . 19.7 mm-40 -84.01 89.26 7.22 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.648 -1.242 . . . . 10.960000000000001 107.648 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -155.15 173.38 16.68 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 105.523 -2.028 . . . . 13.06 105.523 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.3 -1.555 0 N-CA-C 100.498 -3.89 . . . . 13.130000000000001 100.498 179.256 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' H2 ' ' HB3' ' A' ' 59' ' ' ASP . 61.3 mtm . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 105.331 -2.1 . . . . 5.6600000000000001 105.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 157.95 20.64 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 104.199 -2.519 . . . . 4.4500000000000002 104.199 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 2.3 mptp? -89.97 -20.16 23.63 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 105.178 -2.156 . . . . 5.4500000000000002 105.178 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -64.93 -15.85 62.61 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 113.932 -1.485 . . . . 4.7599999999999998 108.52 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -60.24 -39.39 86.55 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.8 -1.556 . . . . 2.5299999999999998 106.8 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HZ3' ' CB ' ' A' ' 58' ' ' ASP . 14.9 mtmm -69.7 -20.54 63.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.987 -1.085 . . . . 4.3700000000000001 109.98 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.7 m -72.57 -46.86 52.29 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 104.268 -2.493 . . . . 2.0499999999999998 104.268 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.07 79.17 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.308 -0.957 . . . . 1.02 109.091 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -58.13 -51.1 71.13 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.111 -1.811 . . . . 2.8900000000000001 106.111 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -61.16 -35.49 77.24 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 113.683 -1.599 . . . . 2.6400000000000001 111.552 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 33.8 mtm -63.77 -42.02 97.86 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 117.316 -1.754 . . . . 2.9100000000000001 109.261 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.41 88.46 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.282 -1.367 . . . . 0.88 108.879 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.581 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -63.95 -38.99 93.11 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.314 -1.755 . . . . 3.8199999999999998 108.901 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.59 -32.74 74.3 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.901 -1.919 . . . . 3.4900000000000002 109.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -61.38 -43.62 97.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.492 -2.04 . . . . 1.1399999999999999 105.492 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 19.6 ttt180 -60.54 -40.83 92.95 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 117.673 -1.611 . . . . 3.21 109.352 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 m -59.28 -48.95 79.72 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.083 -1.047 . . . . 0.81999999999999995 110.438 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.96 -44.43 94.43 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.954 -1.098 . . . . 1.8 108.742 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -58.26 -29.48 65.83 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.449 -1.301 . . . . 0.59999999999999998 109.804 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -46.56 82.9 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.043 -2.206 . . . . 1.96 105.043 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -59.15 -37.1 76.49 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.142 -1.423 . . . . 1.2 108.703 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.88 -28.31 65.54 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.292 -1.763 . . . . 2.4199999999999999 109.092 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.17 -48.28 82.21 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.688 -2.338 . . . . 1.49 104.688 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -65.1 0.74 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 112.994 -1.912 . . . . 1.8899999999999999 111.111 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -48.5 -48.8 37.86 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.093 -0.958 . . . . 2.1299999999999999 112.978 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -60.11 -37.95 81.54 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 117.311 -1.755 . . . . 1.71 107.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -62.02 -40.87 97.19 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.025 -1.07 . . . . 2.3199999999999998 109.4 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.463 ' C ' ' H ' ' A' ' 30' ' ' ASP . 94.4 mt-10 -61.52 -36.55 80.85 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.859 0.838 . . . . 2.6099999999999999 108.9 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 31' ' ' ALA . 21.5 mt -87.91 31.46 0.78 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.87 -1.514 . . . . 2.4500000000000002 107.627 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 28' ' ' GLU . 4.0 p-10 41.56 14.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 126.514 2.384 . . . . 2.4500000000000002 112.129 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 29' ' ' LEU . . . -88.54 56.23 3.7 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 104.284 -2.487 . . . . 1.04 104.284 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.83 -31.83 71.94 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.752 -1.179 . . . . 2.8300000000000001 110.386 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 115.5 -2.48 . . . . 2.1499999999999999 105.78 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.425 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 98.8 mm-40 -72.95 -29.01 62.76 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 116.552 -2.059 . . . . 2.52 105.638 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.5 71.42 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.108 -1.812 . . . . 0.69999999999999996 106.108 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.82 -50.63 71.52 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.884 -1.526 . . . . 1.6699999999999999 107.41 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.88 -33.23 45.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 113.82 -1.536 . . . . 1.74 107.03 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.9 t -73.23 -27.16 61.45 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.457 -1.297 . . . . 1.1200000000000001 110.598 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -76.02 -40.67 53.03 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.589 -2.375 . . . . 2.8199999999999998 104.589 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.8 m -59.28 -32.72 70.28 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.571 -2.011 . . . . 0.83999999999999997 105.571 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -73.82 -35.34 64.85 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.922 -1.51 . . . . 1.5900000000000001 106.922 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 36.8 t60 -57.44 -58.87 6.39 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.009 -1.45 . . . . 1.75 110.145 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.41 -25.16 39.17 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 116.412 -2.115 . . . . 1.8600000000000001 112.18 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.86 -35.28 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.754 -2.313 . . . . 2.8999999999999999 104.754 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.1 80.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.347 -2.094 . . . . 0.77000000000000002 105.347 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 7.0 t70 -69.41 -22.06 63.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.02 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CD ' ' NH2' ' A' ' 50' ' ' ARG . 18.4 mm-40 -63.62 -42.43 98.18 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 105.05 -2.204 . . . . 2.02 105.05 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.84 -40.97 90.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 105.745 -1.946 . . . . 2.2000000000000002 105.745 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 30.4 t80 -61.08 -40.18 92.71 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.468 -0.893 . . . . 2.2599999999999998 110.993 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 46' ' ' ASP . 43.4 mtm-85 -68.08 -61.32 1.91 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.706 -0.797 . . . . 2.8399999999999999 110.135 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 m -54.28 -33.44 58.65 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 114.621 -1.172 . . . . 2.3999999999999999 109.753 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.1 m -66.29 -49.52 66.8 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 117.202 -1.799 . . . . 2.75 107.911 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.11 -40.88 33.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 118.905 -1.118 . . . . 1.9199999999999999 110.401 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.11 -61.04 2.29 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.824 -1.15 . . . . 2.1099999999999999 110.687 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -79.25 -58.76 3.06 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 117.581 -1.648 . . . . 4.0099999999999998 110.785 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' GLY . 8.2 m-30 -50.59 -8.29 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 116.066 1.876 . . . . 3.1099999999999999 116.066 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' PHE . . . -48.14 -42.33 23.96 Favored Glycine 0 N--CA 1.492 2.414 1 N-CA-C 102.6 -4.2 . . . . 4.8499999999999996 102.6 177.374 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' CB ' ' HZ3' ' A' ' 6' ' ' LYS . 4.4 t70 154.5 75.83 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.638 1 N-CA-C 98.435 -4.654 . . . . 7.1900000000000004 98.435 177.444 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 15.1 t70 -36.96 139.55 0.2 Allowed 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 112.027 -2.351 . . . . 8.6199999999999992 114.349 -178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -163.84 -54.92 0.02 OUTLIER Glycine 0 C--N 1.293 -1.828 1 N-CA-C 99.319 -5.512 . . . . 9.7400000000000002 99.319 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -85.3 73.99 10.48 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 101.669 -3.456 . . . . 10.960000000000001 101.669 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.13 109.28 1.79 Allowed 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 118.893 -1.123 . . . . 13.06 110.601 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.302 -1.468 0 CA-C-O 114.267 -2.778 . . . . 13.130000000000001 103.834 179.654 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.418 ' H1 ' ' CD ' ' B' ' 5' ' ' GLU . 59.4 mtp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 105.674 -1.973 . . . . 5.6600000000000001 105.674 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.2 m -75.83 168.63 19.67 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.258 -2.127 . . . . 4.4500000000000002 105.258 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -90.05 -37.37 14.32 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.944 -1.873 . . . . 5.4500000000000002 105.944 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.53 -44.22 8.55 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 126.155 2.16 . . . . 4.7599999999999998 110.111 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.418 ' CD ' ' H1 ' ' B' ' 1' ' ' MET . 9.5 pt-20 -55.9 -46.03 78.49 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 118.231 -1.388 . . . . 2.5299999999999998 110.923 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -74.42 -21.46 59.61 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.384 -1.726 . . . . 4.3700000000000001 107.497 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 m -66.53 -61.97 1.71 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 117.473 -1.691 . . . . 2.0499999999999998 106.892 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.89 -39.25 53.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.495 -0.775 . . . . 1.02 109.791 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.437 ' HG ' ' CE1' ' B' ' 49' ' ' TYR . 33.3 tp -57.84 -57.35 13.17 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.666 -1.214 . . . . 2.8900000000000001 108.811 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -61.77 -25.91 67.76 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.594 -1.243 . . . . 2.6400000000000001 110.666 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 89.3 mmm -71.11 -38.04 72.36 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.745 -1.582 . . . . 2.9100000000000001 108.942 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.7 87.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.586 -1.635 . . . . 0.88 106.586 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -58.31 -41.42 84.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.584 -1.644 . . . . 3.8199999999999998 109.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -61.05 -48.68 80.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.236 -1.386 . . . . 3.4900000000000002 110.163 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.9 mt -56.38 -37.69 52.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.926 -1.034 . . . . 1.1399999999999999 108.996 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.479 ' HG2' ' CE1' ' B' ' 42' ' ' HIS . 34.5 ttt180 -58.38 -51.07 71.38 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 116.861 -1.935 . . . . 3.21 107.924 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -51.16 -44.12 61.4 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.989 -1.005 . . . . 0.81999999999999995 110.565 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.28 -50.09 74.84 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.284 -1.367 . . . . 1.8 109.208 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -54.49 -31.08 55.24 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 113.925 -1.488 . . . . 0.59999999999999998 110.182 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.37 -54.79 27.31 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.731 -1.952 . . . . 1.96 105.731 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -50.1 -37.18 32.69 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.564 -1.653 . . . . 1.2 110.454 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.72 -41.28 60.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 116.817 -1.953 . . . . 2.4199999999999999 109.892 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.44 -50.92 58.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.622 -1.621 . . . . 1.49 106.622 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.48 -59.42 4.61 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.033 -1.894 . . . . 1.8899999999999999 107.719 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.81 -18.82 46.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.654 -1.219 . . . . 2.1299999999999999 112.552 -178.536 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 mt -78.4 -34.43 48.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.949 -1.871 . . . . 1.71 105.949 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -64.1 -41.06 97.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.056 -1.831 . . . . 2.3199999999999998 106.056 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.2 -44.21 95.99 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.481 -1.236 . . . . 2.6099999999999999 109.91 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' ALA . 87.6 mt -89.97 42.44 1.09 Allowed 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.518 -0.873 . . . . 2.4500000000000002 109.378 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 34.63 16.62 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 127.454 2.971 . . . . 2.4500000000000002 115.59 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.62 58.11 3.43 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 104.936 -2.246 . . . . 1.04 104.936 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.96 -35.79 81.83 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 118.534 -1.266 . . . . 2.8300000000000001 110.701 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -33.91 75.8 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 116.214 -2.194 . . . . 2.1499999999999999 106.765 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -76.17 -23.4 54.74 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 116.698 -2.001 . . . . 2.52 107.466 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.71 87.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 105.704 -1.961 . . . . 0.69999999999999996 105.704 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.85 -56.47 20.85 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.601 1.191 . . . . 1.6699999999999999 108.448 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.3 -30.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.995 -1.911 . . . . 1.74 108.139 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.05 -36.69 69.67 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.195 -1.402 . . . . 1.1200000000000001 109.282 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -65.58 -44.46 86.59 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 117.911 -1.516 . . . . 2.8199999999999998 107.511 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' B' ' 44' ' ' HIS . 16.6 m -51.54 -48.33 63.09 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 117.2 -1.8 . . . . 0.83999999999999997 107.66 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.12 -37.29 84.56 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.511 -1.276 . . . . 1.5900000000000001 109.121 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.479 ' CE1' ' HG2' ' B' ' 16' ' ' ARG . 46.4 t60 -55.78 -59.28 5.09 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.101 -1.409 . . . . 1.75 108.437 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.03 -27.36 62.66 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 116.957 -1.897 . . . . 1.8600000000000001 112.271 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' B' ' 40' ' ' SER . 2.9 m-70 -61.62 -33.69 74.36 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.754 -1.978 . . . . 2.8999999999999999 107.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.51 79.32 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.482 -1.687 . . . . 0.77000000000000002 106.907 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.442 ' HB2' ' HD2' ' B' ' 16' ' ' ARG . 50.0 t0 -68.44 -29.34 67.97 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 114.553 -1.203 . . . . 1.45 107.929 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.28 -39.0 88.8 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 117.425 -1.71 . . . . 2.02 106.658 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.38 -39.05 91.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 116.856 -1.938 . . . . 2.2000000000000002 105.987 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.437 ' CE1' ' HG ' ' B' ' 9' ' ' LEU . 27.3 t80 -61.05 -27.23 68.19 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.162 -1.415 . . . . 2.2599999999999998 108.992 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.419 HH11 ' CG ' ' B' ' 46' ' ' ASP . 20.6 mtm180 -91.16 -75.61 0.47 Allowed 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.488 -0.885 . . . . 2.8399999999999999 110.233 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -50.07 -39.07 41.11 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.759 -0.776 . . . . 2.3999999999999999 112.994 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 34' ' ' GLN . 51.2 m -71.54 -32.21 67.89 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 115.689 -2.404 . . . . 2.75 108.573 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -59.68 -34.91 73.48 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 117.13 -1.828 . . . . 1.9199999999999999 106.166 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.19 83.64 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.119 -1.832 . . . . 2.1099999999999999 107.959 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.483 HH12 ' C ' ' B' ' 63' ' ' LEU . 14.2 mmm180 -69.77 -9.42 54.5 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.137 -1.025 . . . . 4.0099999999999998 110.406 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -103.01 -60.97 1.47 Allowed 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 117.741 -1.584 . . . . 3.1099999999999999 112.033 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.84 -128.46 34.7 Favored Glycine 0 N--CA 1.479 1.559 1 N-CA-C 98.103 -5.999 . . . . 4.8499999999999996 98.103 -177.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -136.02 47.53 2.23 Favored 'General case' 0 C--N 1.299 -1.626 1 N-CA-C 98.512 -4.625 . . . . 7.1900000000000004 98.512 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.71 -59.77 1.88 Allowed 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 102.539 -3.134 . . . . 8.6199999999999992 102.539 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.84 -77.93 2.06 Favored Glycine 0 C--N 1.301 -1.398 0 N-CA-C 103.854 -3.698 . . . . 9.7400000000000002 103.854 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -82.75 75.32 9.66 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 103.302 -2.851 . . . . 10.960000000000001 103.302 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.462 ' H ' HD21 ' B' ' 62' ' ' ASN . 0.1 OUTLIER -93.54 -135.32 0.17 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.203 -1.406 . . . . 13.06 107.203 -179.441 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.483 ' C ' HH12 ' B' ' 55' ' ' ARG . 3.7 pp . . . . . 0 C--N 1.302 -1.494 0 N-CA-C 104.866 -2.272 . . . . 13.130000000000001 104.866 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' H3 ' ' HB3' ' A' ' 59' ' ' ASP . 68.5 mmm . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 106.313 -1.736 . . . . 5.6600000000000001 106.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -52.85 154.98 2.54 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.085 -1.046 . . . . 4.4500000000000002 108.522 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -58.74 -35.92 73.5 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 105.41 -2.07 . . . . 5.4500000000000002 105.41 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -61.24 -49.89 75.26 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.136 -1.847 . . . . 4.7599999999999998 108.42 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.416 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 90.2 mt-10 -56.75 -41.02 76.83 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.25 -0.98 . . . . 2.5299999999999998 110.587 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -57.86 -43.34 85.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.371 -1.344 . . . . 4.3700000000000001 107.371 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -66.79 -41.01 88.31 Favored 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 117.827 -1.549 . . . . 2.0499999999999998 110.195 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.9 -31.87 73.31 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.708 -1.197 . . . . 1.02 108.444 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.527 ' HG ' ' CE2' ' A' ' 49' ' ' TYR . 30.2 tp -66.08 -39.85 90.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.959 -2.237 . . . . 2.8900000000000001 104.959 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -67.64 -35.3 78.65 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 118.327 -1.349 . . . . 2.6400000000000001 108.326 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.9 mmm -64.55 -39.06 93.06 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.053 -1.459 . . . . 2.9100000000000001 109.138 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.26 90.5 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.902 -1.519 . . . . 0.88 107.669 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -65.65 -25.27 67.28 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 114.156 -1.384 . . . . 3.8199999999999998 107.608 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.8 -38.24 76.56 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.248 -1.781 . . . . 3.4900000000000002 107.189 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.0 mm -61.92 -41.61 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 117.814 -1.554 . . . . 1.1399999999999999 106.852 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 28.3 ttm-85 -55.08 -50.7 68.5 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.2 -1.4 . . . . 3.21 107.98 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -65.91 -27.82 68.47 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.311 -1.313 . . . . 0.81999999999999995 112.972 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.44 -49.44 59.9 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 102.787 -3.042 . . . . 1.8 102.787 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.4 m -56.06 -26.12 47.91 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 113.663 -1.608 . . . . 0.59999999999999998 109.636 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -73.7 -47.54 38.77 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 117.084 -1.846 . . . . 1.96 107.198 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -56.07 -38.52 70.76 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.903 -1.147 . . . . 1.2 107.903 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -66.05 -48.26 71.63 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 118.306 -1.358 . . . . 2.4199999999999999 107.623 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -44.71 -49.94 10.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 124.851 1.345 . . . . 1.49 108.505 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.89 -59.67 4.32 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 113.63 -1.623 . . . . 1.8899999999999999 107.88 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -57.44 -26.1 60.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.583 -1.189 . . . . 2.1299999999999999 111.936 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.83 -33.65 64.24 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 117.357 -1.737 . . . . 1.71 107.691 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 27' ' ' ASN . 1.1 m-80 -67.6 -43.11 81.27 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 117.318 -1.753 . . . . 2.3199999999999998 107.839 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -61.19 -44.7 96.87 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.567 -1.197 . . . . 2.6099999999999999 112.337 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.97 29.31 1.22 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.422 -1.311 . . . . 2.4500000000000002 114.258 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 48.03 70.33 0.45 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.984 1.428 . . . . 2.4500000000000002 108.419 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.34 52.94 1.34 Allowed 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 104.544 -2.391 . . . . 1.04 104.544 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -61.89 -51.04 69.79 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.107 -1.861 . . . . 2.8300000000000001 111.786 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.68 -43.82 65.82 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 123.761 1.743 . . . . 2.1499999999999999 108.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -62.11 -33.65 74.86 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 112.103 -2.317 . . . . 2.52 108.038 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.72 72.24 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.486 -1.286 . . . . 0.69999999999999996 108.638 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.69 -49.18 62.92 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 118.743 -1.183 . . . . 1.6699999999999999 110.662 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.03 -35.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 C-N-CA 117.891 -1.524 . . . . 1.74 107.598 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.18 -27.73 68.9 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.555 -1.258 . . . . 1.1200000000000001 109.538 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.75 -40.12 69.57 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.473 -1.677 . . . . 2.8199999999999998 106.473 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -60.11 -34.18 73.15 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 117.798 -1.561 . . . . 0.83999999999999997 107.434 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -74.72 -36.1 62.68 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.836 -1.145 . . . . 1.5900000000000001 108.06 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.434 ' CE1' ' CG ' ' A' ' 16' ' ' ARG . 83.7 t60 -53.31 -49.69 66.49 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.341 -1.754 . . . . 1.75 109.844 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 18.6 t70 -87.33 -28.11 22.44 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 117.011 -1.876 . . . . 1.8600000000000001 112.271 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -70.65 -17.92 62.86 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 116.71 -1.996 . . . . 2.8999999999999999 106.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.35 62.86 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 104.728 -2.323 . . . . 0.77000000000000002 104.728 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 7.9 t70 -75.58 -6.57 50.98 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 112.993 -1.912 . . . . 1.45 108.952 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 49' ' ' TYR . 5.9 tp10 -65.41 -39.93 92.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 101.793 -3.41 . . . . 2.02 101.793 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 84.9 mt -72.17 5.32 2.86 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 114.521 -1.218 . . . . 2.2000000000000002 110.247 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.527 ' CE2' ' HG ' ' A' ' 9' ' ' LEU . 43.5 t80 -104.29 -58.71 1.84 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 105.026 -2.213 . . . . 2.2599999999999998 105.026 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.404 HH11 ' CD ' ' A' ' 47' ' ' GLU . 8.9 ptp180 -65.03 -53.24 48.99 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 2.8399999999999999 111.175 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -60.18 -39.41 86.39 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.769 -1.172 . . . . 2.3999999999999999 110.15 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.517 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 87.1 m -69.41 -33.58 73.2 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 116.339 -2.144 . . . . 2.75 108.868 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.55 -27.27 69.05 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.684 -1.599 . . . . 1.9199999999999999 106.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.7 -58.49 6.72 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 116.741 -1.983 . . . . 2.1099999999999999 109.287 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.519 HH22 ' C ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -68.37 -28.28 66.98 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 116.537 -2.065 . . . . 4.0099999999999998 110.851 -177.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 52' ' ' CYS . 19.8 m-30 -69.58 -28.27 65.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 104.915 -2.254 . . . . 3.1099999999999999 104.915 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.8 -55.53 19.32 Favored Glycine 0 C--N 1.297 -1.607 0 N-CA-C 105.511 -3.036 . . . . 4.8499999999999996 105.511 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -86.77 48.28 1.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 109.36 -0.608 . . . . 7.1900000000000004 109.36 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' HB3' ' H3 ' ' A' ' 1' ' ' MET . 5.3 t70 -107.77 154.77 21.04 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.641 -1.244 . . . . 8.6199999999999992 107.641 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.0 39.44 2.79 Favored Glycine 0 C--N 1.298 -1.541 0 N-CA-C 106.948 -2.461 . . . . 9.7400000000000002 106.948 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 46.97 46.69 15.83 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 125.233 1.196 . . . . 10.960000000000001 109.174 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -153.84 -59.21 0.13 Allowed 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 117.204 -1.798 . . . . 13.06 109.545 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.519 ' C ' HH22 ' A' ' 55' ' ' ARG . 3.3 pp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 116.659 -1.639 . . . . 13.130000000000001 107.649 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.517 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 108.488 -0.93 . . . . 5.6600000000000001 108.488 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -177.73 -145.38 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 103.375 -2.824 . . . . 4.4500000000000002 103.375 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -69.44 -0.7 6.86 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.527 -0.869 . . . . 5.4500000000000002 112.109 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -63.98 -43.73 94.84 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 106.21 -1.774 . . . . 4.7599999999999998 106.21 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.46 -42.77 83.2 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 113.98 -1.463 . . . . 2.5299999999999998 109.678 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.464 ' HB3' ' HZ1' ' B' ' 6' ' ' LYS . 0.1 OUTLIER -59.6 -38.08 80.28 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.17 -1.412 . . . . 4.3700000000000001 108.049 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -67.03 -54.73 18.85 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 117.407 -1.717 . . . . 2.0499999999999998 109.421 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.09 72.09 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.565 -0.854 . . . . 1.02 111.612 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 105.974 -1.862 . . . . 2.8900000000000001 105.974 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -67.17 -25.74 66.3 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 112.863 -1.971 . . . . 2.6400000000000001 110.857 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.6 mmm -71.99 -38.48 69.67 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 117.854 -1.538 . . . . 2.9100000000000001 109.378 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.5 90.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 105.882 -1.895 . . . . 0.88 105.882 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -64.72 -25.89 68.13 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.712 -1.586 . . . . 3.8199999999999998 106.849 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -72.54 -33.64 67.0 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.342 -1.743 . . . . 3.4900000000000002 107.764 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.73 -39.55 85.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 103.94 -2.615 . . . . 1.1399999999999999 103.94 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.502 HH21 ' CG ' ' B' ' 42' ' ' HIS . 56.9 mtp85 -61.85 -36.22 80.59 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 115.869 -2.332 . . . . 3.21 108.201 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -65.86 -35.52 80.89 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.026 -1.469 . . . . 0.81999999999999995 109.393 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.0 -59.6 2.82 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.834 -1.147 . . . . 1.8 108.214 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -47.7 -35.07 9.06 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.184 -1.371 . . . . 0.59999999999999998 111.223 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.14 -53.65 55.24 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.275 -1.75 . . . . 1.96 106.275 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -60.58 -17.31 45.7 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 112.874 -1.966 . . . . 1.2 111.166 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.75 -33.61 16.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.3 -1.36 . . . . 2.4199999999999999 109.496 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.17 -45.11 91.87 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 105.653 -1.98 . . . . 1.49 105.653 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -43.53 -68.55 0.19 Allowed 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 111.449 -2.614 . . . . 1.8899999999999999 109.047 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -63.08 -57.58 10.16 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 112.497 -2.138 . . . . 2.1299999999999999 114.866 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.18 -38.36 11.74 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.53 -0.868 . . . . 1.71 111.023 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.06 -55.86 29.55 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.585 -1.246 . . . . 2.3199999999999998 109.58 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' B' ' 30' ' ' ASP . 18.2 mm-40 -63.96 -22.89 67.12 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.575 -1.25 . . . . 2.6099999999999999 110.447 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -86.92 29.47 0.81 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.791 -1.164 . . . . 2.4500000000000002 109.572 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.434 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 25.7 t70 37.47 49.36 0.97 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 125.775 1.922 . . . . 2.4500000000000002 108.866 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.32 52.04 1.25 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 100.471 -3.9 . . . . 1.04 100.471 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.89 -34.97 78.51 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.212 -1.813 . . . . 2.8300000000000001 110.564 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -51.89 67.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.317 -2.475 . . . . 2.1499999999999999 104.317 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.517 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 26.3 mp0 -66.35 -16.28 63.94 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.764 -1.562 . . . . 2.52 110.239 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.54 -44.86 70.07 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.572 -2.01 . . . . 0.69999999999999996 105.572 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.98 -56.17 25.15 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.011 -1.477 . . . . 1.6699999999999999 107.011 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -52.3 -31.77 15.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.654 -2.066 . . . . 1.74 109.228 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 38.2 t -67.79 -44.49 77.24 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 118.293 -1.363 . . . . 1.1200000000000001 108.493 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.8 -31.57 68.37 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 117.875 -1.53 . . . . 2.8199999999999998 109.386 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.2 m -68.14 -33.4 74.42 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 117.751 -1.58 . . . . 0.83999999999999997 107.756 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.47 -40.1 67.23 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.616 -1.994 . . . . 1.5900000000000001 105.616 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.502 ' CG ' HH21 ' B' ' 16' ' ' ARG . 8.9 t60 -48.51 -59.48 3.46 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 112.583 -2.099 . . . . 1.75 110.12 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.462 ' CG ' HH22 ' B' ' 16' ' ' ARG . 3.4 m-20 -79.83 -17.49 53.15 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 116.666 -2.014 . . . . 1.8600000000000001 112.385 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.55 -30.74 71.77 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.288 -2.486 . . . . 2.8999999999999999 104.288 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.11 -28.44 64.32 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.442 -1.303 . . . . 0.77000000000000002 108.403 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.465 ' HB2' ' NH1' ' B' ' 16' ' ' ARG . 19.5 t70 -64.13 -33.76 76.5 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.372 -1.286 . . . . 1.45 109.076 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -54.19 -46.44 72.39 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 118.815 -1.154 . . . . 2.02 108.669 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -57.23 -44.58 83.92 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.172 -1.411 . . . . 2.2000000000000002 108.177 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -56.65 -49.87 73.75 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 124.871 1.357 . . . . 2.2599999999999998 110.908 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -58.81 -51.27 70.72 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.574 -1.25 . . . . 2.8399999999999999 108.142 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -59.34 -26.68 65.25 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.178 -1.374 . . . . 2.3999999999999999 110.173 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 92.2 m -76.52 -27.66 56.08 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 117.85 -1.54 . . . . 2.75 107.553 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.4 -36.44 81.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 105.314 -2.106 . . . . 1.9199999999999999 105.314 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.42 5.81 0.71 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.711 -1.196 . . . . 2.1099999999999999 113.282 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -129.02 -55.39 1.2 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.701 -1.592 . . . . 4.0099999999999998 106.701 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -78.75 4.41 13.91 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 112.759 -2.019 . . . . 3.1099999999999999 110.614 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.73 163.28 16.19 Favored Glycine 0 N--CA 1.48 1.618 0 N-CA-C 106.106 -2.798 . . . . 4.8499999999999996 106.106 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.84 -33.79 60.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.137 -2.542 . . . . 7.1900000000000004 104.137 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.26 148.32 51.89 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.041 -1.436 . . . . 8.6199999999999992 107.475 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.85 19.99 1.12 Allowed Glycine 0 C--N 1.297 -1.607 0 N-CA-C 106.795 -2.522 . . . . 9.7400000000000002 106.795 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -126.28 -38.7 2.11 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.064 -1.088 . . . . 10.960000000000001 108.064 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.471 ' C ' HD21 ' B' ' 62' ' ' ASN . 0.2 OUTLIER 69.3 98.36 0.06 Allowed 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 105.15 -2.167 . . . . 13.06 105.15 -178.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 42.5 tp . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 100.569 -3.863 . . . . 13.130000000000001 100.569 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HG3' ' H ' ' A' ' 2' ' ' THR . 6.0 ptm . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 104.804 -2.295 . . . . 5.6600000000000001 104.804 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.409 ' H ' ' HG3' ' A' ' 1' ' ' MET . 6.2 m -84.12 154.91 22.87 Favored 'General case' 0 C--N 1.298 -1.667 1 N-CA-C 98.532 -4.618 . . . . 4.4500000000000002 98.532 178.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 2.8 mptp? -89.99 -16.55 29.63 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.412 -1.715 . . . . 5.4500000000000002 111.438 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.76 -27.12 68.07 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 105.921 -1.881 . . . . 4.7599999999999998 105.921 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -61.94 -42.85 99.58 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 123.279 1.514 . . . . 2.5299999999999998 106.99 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' HZ3' ' CB ' ' A' ' 59' ' ' ASP . 20.2 mmtp -69.53 -31.83 70.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.769 -2.014 . . . . 4.3700000000000001 108.918 -177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -73.59 -24.51 60.07 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 116.58 -2.048 . . . . 2.0499999999999998 105.913 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -57.5 4.74 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.604 -1.238 . . . . 1.02 112.348 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 2.6 pt? -68.48 -27.94 66.59 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.111 -2.636 . . . . 2.8900000000000001 108.658 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -66.76 -36.96 83.65 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 115.831 -2.348 . . . . 2.6400000000000001 106.823 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.414 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 43.0 tpp -63.3 -45.51 91.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.999 -1.482 . . . . 2.9100000000000001 106.999 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.08 69.3 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.123 -1.031 . . . . 0.88 109.383 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -66.05 -39.7 90.33 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.289 -2.115 . . . . 3.8199999999999998 105.289 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 9.4 m-85 -72.32 -24.5 61.32 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.425 -1.31 . . . . 3.4900000000000002 109.835 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.96 -37.07 79.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 103.991 -2.596 . . . . 1.1399999999999999 103.991 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 47.9 ttp180 -64.57 -37.74 88.62 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.333 -1.747 . . . . 3.21 106.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -60.45 -38.6 84.68 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.95 -1.5 . . . . 0.81999999999999995 108.042 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.98 -40.08 92.08 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 117.546 -1.662 . . . . 1.8 107.018 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 m -59.84 -30.7 69.13 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.879 -1.128 . . . . 0.59999999999999998 108.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.69 -58.58 5.9 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 104.032 -2.581 . . . . 1.96 104.032 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -53.49 -19.61 3.86 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.802 -1.09 . . . . 1.2 110.795 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.81 -36.25 23.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.45 -1.3 . . . . 2.4199999999999999 109.846 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 tp -50.49 -59.66 3.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 124.406 1.066 . . . . 1.49 111.037 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 3.8 mp0 -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 125.006 1.441 . . . . 1.8899999999999999 108.747 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -51.21 -47.48 62.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.361 -1.29 . . . . 2.1299999999999999 111.403 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.54 -33.85 68.53 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.552 -1.259 . . . . 1.71 110.966 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -69.76 -53.55 17.85 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 117.613 -1.635 . . . . 2.3199999999999998 110.171 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.53 -26.46 68.72 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.526 -1.27 . . . . 2.6099999999999999 110.782 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -89.97 14.14 12.96 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.346 -0.942 . . . . 2.4500000000000002 110.434 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' HH21 ' B' ' 55' ' ' ARG . 19.3 t0 48.75 71.66 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 123.222 1.487 . . . . 2.4500000000000002 109.288 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.98 55.05 1.72 Allowed 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 103.668 -2.715 . . . . 1.04 103.668 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.57 -39.47 64.83 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.621 -1.627 . . . . 2.8300000000000001 109.408 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 34' ' ' GLN . 8.9 pt-20 -60.33 -41.47 93.62 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.903 -1.519 . . . . 2.1499999999999999 108.28 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.558 ' HG3' ' SG ' ' B' ' 52' ' ' CYS . 91.1 mm-40 -74.74 -14.44 60.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.794 -1.562 . . . . 2.52 108.691 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -56.92 6.94 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 104.217 -2.512 . . . . 0.69999999999999996 104.217 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -50.61 -55.55 15.83 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 117.653 -1.619 . . . . 1.6699999999999999 110.242 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.3 mm -55.42 -31.53 27.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 112.93 -1.941 . . . . 1.74 109.193 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.2 t -71.23 -43.33 67.52 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.27 -1.372 . . . . 1.1200000000000001 110.025 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.5 76.02 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 117.99 -1.484 . . . . 2.8199999999999998 107.945 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -59.96 -31.85 70.26 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.619 -1.173 . . . . 0.83999999999999997 109.773 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -74.45 -35.43 63.33 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.717 -1.216 . . . . 1.5900000000000001 107.717 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 19.9 t60 -57.42 -59.82 4.58 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 112.425 -2.17 . . . . 1.75 108.726 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.43 -40.57 96.0 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 117.404 -1.719 . . . . 1.8600000000000001 110.698 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -61.21 -28.58 69.25 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.101 -1.84 . . . . 2.8999999999999999 109.392 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.67 65.69 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.378 -2.453 . . . . 0.77000000000000002 104.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -73.03 -16.2 61.5 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 117.659 -1.616 . . . . 1.45 106.686 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.81 -36.8 56.66 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 104.488 -2.412 . . . . 2.02 104.488 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.94 -31.83 73.25 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 104.458 -2.423 . . . . 2.2000000000000002 104.458 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.432 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 83.4 t80 -69.66 -43.24 72.99 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.219 -0.992 . . . . 2.2599999999999998 109.844 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -64.13 -63.52 1.13 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.5 -0.926 . . . . 2.8399999999999999 108.5 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.1 m -50.0 -43.36 50.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.553 -1.203 . . . . 2.3999999999999999 111.887 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 9' ' ' LEU . 28.6 p -72.9 -29.94 63.54 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 116.184 -2.207 . . . . 2.75 108.962 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.8 -25.48 66.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.009 -1.848 . . . . 1.9199999999999999 106.009 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.85 -29.56 67.91 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 116.866 -1.934 . . . . 2.1099999999999999 106.75 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 HH12 ' C ' ' B' ' 30' ' ' ASP . 12.2 tpp85 -85.24 -21.94 28.86 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.828 -1.078 . . . . 4.0099999999999998 110.408 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -112.83 -5.7 13.86 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 115.56 1.689 . . . . 3.1099999999999999 115.56 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.0 95.88 0.21 Allowed Glycine 0 N--CA 1.485 1.932 0 C-N-CA 117.344 -2.36 . . . . 4.8499999999999996 111.55 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 59' ' ' ASP . 5.3 p-10 -160.27 -44.5 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.726 -1.19 . . . . 7.1900000000000004 109.492 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' CB ' ' HZ3' ' A' ' 6' ' ' LYS . 75.0 m-20 -75.51 -8.89 57.92 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.049 -1.834 . . . . 8.6199999999999992 106.049 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.76 -171.3 32.72 Favored Glycine 0 C--N 1.297 -1.626 0 N-CA-C 104.308 -3.517 . . . . 9.7400000000000002 104.308 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -32.02 11.9 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.692 -0.803 . . . . 10.960000000000001 111.389 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -110.28 17.35 20.99 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.758 -1.571 . . . . 13.06 106.758 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.462 0 N-CA-C 107.49 -1.3 . . . . 13.130000000000001 107.49 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.516 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.1 mpp? . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.702 -0.11 . . . . 5.6600000000000001 110.702 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.405 ' H ' ' H1 ' ' B' ' 1' ' ' MET . 5.5 m 68.83 13.95 8.89 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.834 0.826 . . . . 4.4500000000000002 109.461 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -113.65 0.07 Allowed 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.116 -1.809 . . . . 5.4500000000000002 106.116 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -81.39 -17.66 48.2 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 119.981 -0.688 . . . . 4.7599999999999998 110.693 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' B' ' 5' ' ' GLU . 0.1 OUTLIER -64.53 -33.84 76.84 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.474 -2.047 . . . . 2.5299999999999998 105.474 -179.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.499 ' NZ ' ' HA ' ' B' ' 59' ' ' ASP . 0.4 OUTLIER -69.82 -28.25 65.55 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 118.422 -1.311 . . . . 4.3700000000000001 109.109 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -68.57 -48.46 64.17 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 117.341 -1.743 . . . . 2.0499999999999998 107.137 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.99 79.29 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.427 -1.309 . . . . 1.02 109.38 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.12 -49.19 72.38 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 113.902 -1.499 . . . . 2.8900000000000001 111.971 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -69.01 -34.94 76.07 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.197 -1.401 . . . . 2.6400000000000001 111.71 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 93.8 mtp -70.11 -36.6 74.97 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 117.958 -1.497 . . . . 2.9100000000000001 109.15 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.91 73.03 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.849 -1.908 . . . . 0.88 105.849 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -70.96 -25.16 62.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 105.746 -1.946 . . . . 3.8199999999999998 105.746 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -32.73 59.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.719 -1.586 . . . . 3.4900000000000002 106.719 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -59.22 -48.04 88.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 103.525 -2.769 . . . . 1.1399999999999999 103.525 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.417 HH22 ' C ' ' B' ' 63' ' ' LEU . 33.7 mtp-105 -55.88 -36.41 67.59 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 118.002 -1.479 . . . . 3.21 110.578 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -64.44 -56.68 12.65 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 117.606 -1.638 . . . . 0.81999999999999995 109.235 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -54.79 -60.45 3.34 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.688 0.756 . . . . 1.8 109.951 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -51.85 -31.22 26.91 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.183 -1.826 . . . . 0.59999999999999998 110.946 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.18 -49.17 53.07 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 116.98 -1.888 . . . . 1.96 108.431 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -70.63 -19.95 62.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 117.538 -1.665 . . . . 1.2 108.207 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 tp -72.76 -43.65 62.58 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.687 -1.968 . . . . 2.4199999999999999 105.687 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.59 -51.97 61.31 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.558 -1.645 . . . . 1.49 106.558 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -48.01 -59.77 3.11 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.593 -1.64 . . . . 1.8899999999999999 108.523 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -59.33 -28.75 67.1 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.666 -1.152 . . . . 2.1299999999999999 111.574 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 74.4 mt -67.28 -42.82 83.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 116.794 -1.963 . . . . 1.71 106.325 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -57.44 -42.42 82.41 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.416 -1.313 . . . . 2.3199999999999998 109.656 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -62.87 -34.43 77.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.323 -1.351 . . . . 2.6099999999999999 110.105 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.96 28.23 1.42 Allowed 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.399 -0.921 . . . . 2.4500000000000002 109.878 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.402 ' C ' HH12 ' A' ' 55' ' ' ARG . 5.8 m-20 50.88 17.6 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.126 0.891 . . . . 2.4500000000000002 111.034 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.59 50.46 1.91 Allowed 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.768 -0.773 . . . . 1.04 109.571 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -62.96 -32.51 73.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 124.296 0.998 . . . . 2.8300000000000001 110.707 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.79 -50.4 73.37 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.887 -2.264 . . . . 2.1499999999999999 104.887 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -64.91 -23.15 67.14 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.914 -1.494 . . . . 2.52 109.107 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.67 70.75 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.414 -1.714 . . . . 0.69999999999999996 108.268 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -60.21 -49.6 76.98 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.311 -1.737 . . . . 1.6699999999999999 106.311 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.31 -34.4 50.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 112.124 -2.307 . . . . 1.74 107.739 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 34.9 t -72.86 -29.56 63.3 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 118.666 -1.214 . . . . 1.1200000000000001 109.799 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.72 -52.7 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.817 -1.549 . . . . 2.8199999999999998 106.817 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.5 m -59.56 -34.49 72.75 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.294 -1.321 . . . . 0.83999999999999997 109.124 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.42 -39.07 81.74 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.192 -1.403 . . . . 1.5900000000000001 108.808 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.91 -54.56 40.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.029 -1.441 . . . . 1.75 109.647 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.89 -47.11 81.27 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.294 1.045 . . . . 1.8600000000000001 109.973 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.55 -32.18 73.09 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 113.523 -1.671 . . . . 2.8999999999999999 108.565 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.17 -21.28 46.65 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.525 -1.287 . . . . 0.77000000000000002 107.525 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.431 ' HB3' ' NH1' ' B' ' 50' ' ' ARG . 33.7 t0 -78.23 -8.9 58.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.405 -1.331 . . . . 1.45 107.405 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' B' ' 49' ' ' TYR . 22.1 mm-40 -70.85 -38.13 73.14 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 116.292 -2.163 . . . . 2.02 105.801 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.408 ' O ' ' SG ' ' B' ' 52' ' ' CYS . 8.0 mp -65.68 -4.29 6.09 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 114.104 -1.407 . . . . 2.2000000000000002 108.722 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' B' ' 47' ' ' GLU . 56.6 t80 -107.94 -82.91 0.55 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 100.281 -3.97 . . . . 2.2599999999999998 100.281 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 30.8 mtm180 -33.42 -70.86 0.07 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.126 1.528 . . . . 2.8399999999999999 115.126 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -57.77 -34.99 70.17 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.754 -1.179 . . . . 2.3999999999999999 109.893 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.558 ' SG ' ' HG3' ' A' ' 34' ' ' GLN . 77.5 m -70.37 -26.62 63.8 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 116.076 -2.25 . . . . 2.75 109.197 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.84 -39.93 90.93 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 103.481 -2.785 . . . . 1.9199999999999999 103.481 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.26 68.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 117.082 -1.847 . . . . 2.1099999999999999 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.442 HH21 ' CG ' ' A' ' 30' ' ' ASP . 10.5 mmm180 -77.29 -19.1 56.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 117.991 -1.484 . . . . 4.0099999999999998 111.967 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -105.17 -50.66 3.19 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.365 -1.334 . . . . 3.1099999999999999 108.915 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.5 -16.89 27.78 Favored Glycine 0 N--CA 1.484 1.858 0 C-N-CA 119.303 -1.427 . . . . 4.8499999999999996 114.147 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.41 26.41 3.41 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 106.596 -1.631 . . . . 7.1900000000000004 106.596 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . 0.499 ' HA ' ' NZ ' ' B' ' 6' ' ' LYS . 1.0 OUTLIER -99.81 124.06 44.7 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 114.62 -1.173 . . . . 8.6199999999999992 112.939 -177.811 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.31 10.33 4.71 Favored Glycine 0 C--N 1.295 -1.715 0 N-CA-C 104.174 -3.571 . . . . 9.7400000000000002 104.174 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' B' ' 61' ' ' GLU . 13.9 mp0 -81.74 142.76 32.35 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 104.144 -2.539 . . . . 10.960000000000001 104.144 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -145.89 81.79 1.61 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.471 -1.307 . . . . 13.06 107.471 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.417 ' C ' HH22 ' B' ' 16' ' ' ARG . 20.2 tp . . . . . 0 C--N 1.301 -1.532 0 N-CA-C 102.516 -3.142 . . . . 13.130000000000001 102.516 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 105.241 -2.133 . . . . 5.6600000000000001 105.241 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.59 -142.69 0.27 Allowed 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.003 -1.079 . . . . 4.4500000000000002 111.856 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -73.4 -70.31 0.38 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 115.196 1.554 . . . . 5.4500000000000002 115.196 -177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.437 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 4.9 pm0 -85.08 53.36 2.71 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 115.185 1.55 . . . . 4.7599999999999998 115.185 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.23 -74.61 0.09 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.754 -1.179 . . . . 2.5299999999999998 108.474 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -63.86 -22.33 66.87 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.973 -1.491 . . . . 4.3700000000000001 112.507 -178.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 5.9 m -78.16 -38.02 44.54 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 116.408 -2.117 . . . . 2.0499999999999998 109.301 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.1 75.32 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.756 -2.313 . . . . 1.02 104.756 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -58.18 -65.35 0.66 Allowed 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 113.353 -1.749 . . . . 2.8900000000000001 109.54 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.405 HD21 ' N ' ' A' ' 11' ' ' MET . 0.4 OUTLIER -61.91 -21.13 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 118.065 -1.454 . . . . 2.6400000000000001 112.257 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.405 ' N ' HD21 ' A' ' 10' ' ' ASN . 75.9 mmm -84.9 -21.85 29.53 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 117.094 -1.842 . . . . 2.9100000000000001 108.568 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.36 -45.39 76.44 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 102.678 -3.082 . . . . 0.88 102.678 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -59.39 -26.8 65.43 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 111.551 -2.568 . . . . 3.8199999999999998 108.119 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.63 -49.54 68.31 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.366 -1.734 . . . . 3.4900000000000002 107.645 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.0 mt -57.6 -38.58 64.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 C-N-CA 118.552 -1.259 . . . . 1.1399999999999999 108.179 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 ttt180 -56.16 -43.61 78.5 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 118.365 -1.334 . . . . 3.21 107.505 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 m -63.78 -43.69 95.6 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.687 -1.205 . . . . 0.81999999999999995 110.698 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.92 -48.55 75.49 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 118.057 -1.457 . . . . 1.8 109.51 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.7 m -56.78 -35.48 68.74 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.451 -1.25 . . . . 0.59999999999999998 111.265 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.64 -45.92 92.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.747 -1.575 . . . . 1.96 106.747 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -58.82 -37.17 75.79 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 114.015 -1.448 . . . . 1.2 108.484 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.07 -44.98 96.56 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.096 -1.842 . . . . 2.4199999999999999 108.899 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.8 tp -49.72 -45.27 49.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 124.347 1.029 . . . . 1.49 108.651 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.34 -43.21 88.2 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.686 -1.143 . . . . 1.8899999999999999 108.967 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.4 -36.5 84.16 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 116.9 -1.92 . . . . 2.1299999999999999 110.175 -178.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD21 ' SG ' ' A' ' 38' ' ' CYS . 11.0 mp -70.66 -22.37 62.5 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.538 -1.665 . . . . 1.71 107.832 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -64.49 -35.15 80.03 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.501 -1.666 . . . . 2.3199999999999998 106.501 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' CD ' ' HZ2' ' B' ' 3' ' ' LYS . 38.6 mt-10 -60.58 -53.44 57.48 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 118.367 -1.333 . . . . 2.6099999999999999 108.134 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ALA . 10.4 mp -89.98 25.7 2.05 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.27 -0.972 . . . . 2.4500000000000002 112.348 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.429 ' CG ' HH22 ' B' ' 55' ' ' ARG . 6.7 p-10 33.84 31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 125.443 1.715 . . . . 2.4500000000000002 112.7 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -68.69 86.17 0.32 Allowed 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.073 -1.051 . . . . 1.04 109.373 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.67 -52.63 63.56 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 125.102 1.501 . . . . 2.8300000000000001 110.876 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -57.14 7.59 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.082 -1.417 . . . . 2.1499999999999999 110.224 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -72.39 -15.08 61.85 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 117.432 -1.707 . . . . 2.52 110.144 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.05 78.59 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 103.667 -2.716 . . . . 0.69999999999999996 103.667 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.58 -53.62 56.3 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 117.448 -1.701 . . . . 1.6699999999999999 107.761 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.1 mt -52.62 -34.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 C-N-CA 117.947 -1.501 . . . . 1.74 109.558 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.462 ' SG ' HD21 ' A' ' 26' ' ' LEU . 55.6 m -70.04 -37.96 75.73 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 117.599 -1.64 . . . . 1.1200000000000001 111.062 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.08 -47.48 51.12 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 117.954 -1.498 . . . . 2.8199999999999998 108.691 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.5 m -59.45 -35.04 73.3 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 118.741 -1.184 . . . . 0.83999999999999997 108.369 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -72.13 -42.65 65.77 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.019 0.914 . . . . 1.5900000000000001 108.566 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.475 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 84.4 t60 -52.06 -50.98 60.44 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 112.921 -1.945 . . . . 1.75 108.552 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.06 -24.04 38.09 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.886 -1.506 . . . . 1.8600000000000001 112.27 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CE1' HG22 ' B' ' 37' ' ' ILE . 67.2 t60 -65.18 -35.82 82.27 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.22 -2.141 . . . . 2.8999999999999999 105.22 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.17 69.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 105.955 -1.868 . . . . 0.77000000000000002 105.955 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' CG ' ' NH1' ' A' ' 16' ' ' ARG . 36.9 t70 -68.34 -16.58 63.99 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.078 -1.449 . . . . 1.45 110.247 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' ' 49' ' ' TYR . 9.4 mm-40 -65.01 -33.22 75.53 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 116.016 -2.274 . . . . 2.02 105.898 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.39 11.36 0.79 Allowed 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 113.623 -1.626 . . . . 2.2000000000000002 108.832 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.516 ' H ' ' C ' ' A' ' 47' ' ' GLU . 44.6 t80 -120.15 -37.03 3.13 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 103.054 -2.943 . . . . 2.2599999999999998 103.054 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -75.28 -79.75 0.09 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.518 -1.219 . . . . 2.8399999999999999 112.716 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -55.96 -21.2 19.6 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.558 -0.857 . . . . 2.3999999999999999 111.029 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.504 ' SG ' ' HG3' ' B' ' 34' ' ' GLN . 50.9 m -73.57 -47.69 38.62 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 117.724 -1.591 . . . . 2.75 106.82 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.5 -32.29 73.17 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 117.591 -1.644 . . . . 1.9199999999999999 108.328 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.1 -23.01 12.34 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 118.692 -1.203 . . . . 2.1099999999999999 110.708 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' B' ' 33' ' ' GLU . 75.6 mtm-85 -114.38 -14.02 12.23 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 118.51 -1.276 . . . . 4.0099999999999998 111.178 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 52' ' ' CYS . 9.5 m-30 -94.01 -6.28 45.67 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 117.809 -1.556 . . . . 3.1099999999999999 107.31 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.57 109.5 0.3 Allowed Glycine 0 N--CA 1.48 1.605 0 C-N-CA 118.498 -1.81 . . . . 4.8499999999999996 108.726 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.19 149.28 42.05 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 106.935 -1.506 . . . . 7.1900000000000004 106.935 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -79.71 -32.13 41.25 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.299 -2.111 . . . . 8.6199999999999992 105.299 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.24 -56.92 0.61 Allowed Glycine 0 C--N 1.299 -1.475 0 N-CA-C 106.312 -2.715 . . . . 9.7400000000000002 106.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -165.16 -51.39 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.848 -1.167 . . . . 10.960000000000001 107.848 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.489 ' C ' HD21 ' A' ' 62' ' ' ASN . 0.2 OUTLIER 174.17 81.02 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 103.51 -2.774 . . . . 13.06 103.51 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--N 1.298 -1.663 0 CA-C-O 114.327 -2.749 . . . . 13.130000000000001 104.277 179.016 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 C--O 1.214 -0.774 0 N-CA-C 104.059 -2.571 . . . . 5.6600000000000001 104.059 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.28 12.11 0.13 Allowed 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 116.071 1.878 . . . . 4.4500000000000002 116.071 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.497 ' CG ' ' H ' ' B' ' 4' ' ' GLN . 13.8 pttp -90.02 -118.78 0.06 Allowed 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 101.923 -3.362 . . . . 5.4500000000000002 101.923 178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.497 ' H ' ' CG ' ' B' ' 3' ' ' LYS . 37.1 mt-30 -82.7 7.43 14.9 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 117.816 -1.553 . . . . 4.7599999999999998 111.151 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -69.52 -63.25 1.11 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 115.708 -2.397 . . . . 2.5299999999999998 107.555 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -57.58 -26.01 60.83 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.173 -1.376 . . . . 4.3700000000000001 109.075 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.7 m -78.17 -34.97 49.36 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.38 -1.328 . . . . 2.0499999999999998 110.737 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.3 70.07 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 106.095 -1.817 . . . . 1.02 106.095 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tt -56.56 -52.84 63.28 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 111.391 -2.641 . . . . 2.8900000000000001 105.084 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.18 -49.5 73.85 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.559 -1.655 . . . . 2.6400000000000001 110.041 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.9 mmm -55.58 -39.49 70.76 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.214 -0.994 . . . . 2.9100000000000001 111.353 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.14 86.13 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.668 -1.613 . . . . 0.88 107.939 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.489 ' HB2' ' CE1' ' B' ' 49' ' ' TYR . 2.8 tpm_? -67.62 -39.97 84.68 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 117.338 -1.745 . . . . 3.8199999999999998 109.958 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -65.66 -45.69 81.96 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.633 -1.227 . . . . 3.4900000000000002 109.895 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.6 mt -53.72 -44.87 60.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 CA-C-N 115.439 -0.8 . . . . 1.1399999999999999 109.329 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.499 HH11 ' CG ' ' B' ' 42' ' ' HIS . 52.9 ttt85 -49.98 -52.98 29.56 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 118.428 -1.309 . . . . 3.21 107.961 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -53.79 -49.37 68.44 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.057 -1.429 . . . . 0.81999999999999995 110.57 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.08 -39.37 78.37 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 118.478 -1.289 . . . . 1.8 110.552 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -59.97 -34.91 73.92 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 117.826 -1.55 . . . . 0.59999999999999998 109.626 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.45 -44.45 96.38 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 117.355 -1.738 . . . . 1.96 106.385 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -61.57 -37.22 83.03 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.593 -1.243 . . . . 1.2 110.617 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.66 -32.58 68.06 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 118.168 -1.413 . . . . 2.4199999999999999 109.389 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.66 -53.03 60.17 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.998 -1.081 . . . . 1.49 109.79 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.464 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 17.3 mt-10 -43.69 -57.07 3.39 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 125.552 1.783 . . . . 1.8899999999999999 108.866 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.464 ' HZ3' ' CD ' ' B' ' 24' ' ' GLU . 35.5 mmtm -57.44 -50.87 71.61 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 111.9 -2.409 . . . . 2.1299999999999999 112.134 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -55.81 -29.41 59.7 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.19 -1.404 . . . . 1.71 110.223 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -67.15 -40.03 86.64 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 117.571 -1.652 . . . . 2.3199999999999998 107.241 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.41 -32.48 64.45 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.828 -1.149 . . . . 2.6099999999999999 111.458 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 25' ' ' LYS . 44.5 mt -77.24 20.21 0.29 Allowed 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 115.187 1.551 . . . . 2.4500000000000002 115.187 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.82 33.3 16.72 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 105.97 -1.863 . . . . 2.4500000000000002 105.97 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.407 ' HB3' ' CG ' ' B' ' 34' ' ' GLN . . . -111.45 68.97 0.67 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.326 -1.361 . . . . 1.04 107.326 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' B' ' 33' ' ' GLU . 11.1 p-10 -59.85 -58.6 7.84 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.235 -1.802 . . . . 2.8300000000000001 112.151 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.445 ' CD ' HH12 ' A' ' 55' ' ' ARG . 0.0 OUTLIER -64.12 -24.82 67.83 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.303 -1.359 . . . . 2.1499999999999999 109.994 -179.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.504 ' HG3' ' SG ' ' A' ' 52' ' ' CYS . 3.5 mm-40 -74.39 -27.68 60.75 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 116.496 -2.082 . . . . 2.52 105.782 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -58.16 8.33 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 104.505 -2.406 . . . . 0.69999999999999996 104.505 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.62 -59.02 3.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 125.076 1.485 . . . . 1.6699999999999999 111.377 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' ' 44' ' ' HIS . 72.2 mt -55.01 -30.85 24.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 CA-C-N 113.851 -1.522 . . . . 1.74 109.876 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 51.5 t -80.52 -27.22 37.72 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.696 -1.202 . . . . 1.1200000000000001 110.346 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.93 -41.86 64.09 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.523 -2.399 . . . . 2.8199999999999998 104.523 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 26.7 m -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.044 -1.836 . . . . 0.83999999999999997 106.044 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.33 -39.74 88.13 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.369 -0.932 . . . . 1.5900000000000001 108.798 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.499 ' CG ' HH11 ' B' ' 16' ' ' ARG . 3.0 t60 -52.65 -53.67 43.9 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 113.459 -1.7 . . . . 1.75 110.182 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.21 -29.71 34.47 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.15 -1.82 . . . . 1.8600000000000001 112.227 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.56 -26.24 67.03 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 117.519 -1.672 . . . . 2.8999999999999999 108.532 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.18 74.73 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.276 -2.861 . . . . 0.77000000000000002 103.276 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.411 ' HB3' HH12 ' B' ' 50' ' ' ARG . 33.7 t0 -77.21 -20.53 55.18 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 113.242 -1.799 . . . . 1.45 106.83 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.46 -36.59 73.99 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 116.481 -2.088 . . . . 2.02 106.692 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.41 HD23 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -64.73 -43.77 92.31 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.988 -2.597 . . . . 2.2000000000000002 103.988 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 80.7 t80 -54.77 -45.98 74.32 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.553 -1.203 . . . . 2.2599999999999998 110.896 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.411 HH12 ' HB3' ' B' ' 46' ' ' ASP . 56.8 mtm-85 -67.18 -55.76 12.78 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.635 -0.826 . . . . 2.8399999999999999 110.476 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.0 m -56.12 -25.21 45.01 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.451 -1.25 . . . . 2.3999999999999999 110.405 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.472 ' SG ' ' CD2' ' B' ' 56' ' ' PHE . 52.4 t -66.73 -47.48 72.17 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.064 -2.198 . . . . 2.75 105.064 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.45 -37.66 73.21 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.003 -1.479 . . . . 1.9199999999999999 108.159 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.22 -60.34 3.32 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 115.121 1.526 . . . . 2.1099999999999999 115.121 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.429 HH22 ' CG ' ' A' ' 30' ' ' ASP . 26.4 ttt180 -85.66 -34.01 21.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 116.658 -2.017 . . . . 4.0099999999999998 112.081 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.472 ' CD2' ' SG ' ' B' ' 52' ' ' CYS . 2.2 m-30 -75.17 -23.05 57.67 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 116.53 -2.068 . . . . 3.1099999999999999 107.605 -179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.27 60.21 6.15 Favored Glycine 0 N--CA 1.478 1.491 1 N-CA-C 100.121 -5.191 . . . . 4.8499999999999996 100.121 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.9 t0 56.07 -107.78 0.4 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 103.178 -2.897 . . . . 7.1900000000000004 103.178 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -146.37 15.12 1.29 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 104.212 -2.514 . . . . 8.6199999999999992 104.212 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.81 40.69 0.64 Allowed Glycine 0 C--N 1.297 -1.607 0 N-CA-C 103.533 -3.827 . . . . 9.7400000000000002 103.533 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' B' ' 61' ' ' GLU . 10.8 mp0 43.75 37.85 1.79 Allowed 'General case' 0 N--CA 1.485 1.296 0 O-C-N 125.583 1.402 . . . . 10.960000000000001 110.821 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -86.89 177.34 7.3 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 117.658 -1.617 . . . . 13.06 106.799 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.417 HD23 ' N ' ' B' ' 63' ' ' LEU . 2.4 mm? . . . . . 0 C--N 1.3 -1.559 0 N-CA-C 102.274 -3.232 . . . . 13.130000000000001 102.274 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 107.139 -1.43 . . . . 5.6600000000000001 107.139 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.79 -178.13 6.85 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.99 -1.485 . . . . 4.4500000000000002 106.99 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.82 -24.64 66.19 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 117.362 -1.735 . . . . 5.4500000000000002 109.192 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.27 -27.2 67.0 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 117.896 -1.522 . . . . 4.7599999999999998 108.606 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 21.8 mp0 -68.94 -45.52 70.55 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 104.038 -2.579 . . . . 2.5299999999999998 104.038 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.58 -32.91 71.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.753 -1.579 . . . . 4.3700000000000001 107.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 m -69.46 -37.99 77.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.52 -1.672 . . . . 2.0499999999999998 107.2 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -27.01 67.49 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.972 -1.091 . . . . 1.02 109.2 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.89 -41.71 97.64 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 104.978 -2.23 . . . . 2.8900000000000001 104.978 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -71.1 -35.88 71.98 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.007 -1.477 . . . . 2.6400000000000001 112.512 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.471 ' SD ' ' HG ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -72.67 -29.61 63.57 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 115.818 -2.353 . . . . 2.9100000000000001 107.917 -178.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 105.715 -1.957 . . . . 0.88 105.715 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 38.5 ttm180 -63.08 -30.51 71.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.578 -1.647 . . . . 3.8199999999999998 107.556 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.38 -47.93 83.58 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.209 -1.797 . . . . 3.4900000000000002 108.037 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.85 -36.8 63.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.825 -1.15 . . . . 1.1399999999999999 108.056 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.463 HH21 ' CD2' ' A' ' 42' ' ' HIS . 18.1 mtp180 -61.8 -52.37 64.47 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.188 -1.805 . . . . 3.21 110.683 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -61.53 -34.15 75.05 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.856 -1.066 . . . . 0.81999999999999995 110.914 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.46 -54.17 36.66 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.153 -1.795 . . . . 1.8 106.153 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -60.78 -26.53 67.32 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.159 -1.837 . . . . 0.59999999999999998 109.502 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.34 -55.32 14.31 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 117.784 -1.566 . . . . 1.96 107.199 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -67.39 -19.12 65.36 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.984 -1.462 . . . . 1.2 108.896 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.05 -35.41 56.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.991 -1.855 . . . . 2.4199999999999999 105.991 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.86 -53.79 54.37 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 105.781 -1.933 . . . . 1.49 105.781 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.6 -67.34 0.27 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.746 -2.479 . . . . 1.8899999999999999 109.255 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -53.15 -29.57 32.04 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 113.975 -1.466 . . . . 2.1299999999999999 113.089 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.68 -35.64 72.91 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.516 -1.674 . . . . 1.71 107.719 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -64.67 -36.84 85.56 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.345 -1.724 . . . . 2.3199999999999998 106.345 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -71.59 -32.69 68.31 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.05 -1.06 . . . . 2.6099999999999999 110.335 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp -89.29 20.67 3.66 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.077 -1.049 . . . . 2.4500000000000002 110.838 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' CG ' HH21 ' B' ' 55' ' ' ARG . 36.5 t70 54.44 72.3 0.47 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 124.423 1.077 . . . . 2.4500000000000002 108.268 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.76 121.43 13.41 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.33 -1.729 . . . . 1.04 106.33 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -105.3 -68.52 0.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 124.95 1.406 . . . . 2.8300000000000001 108.168 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -44.63 -42.12 7.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.922 1.389 . . . . 2.1499999999999999 110.715 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -69.18 -40.25 78.21 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.422 -1.311 . . . . 2.52 109.282 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.4 96.43 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.227 -1.389 . . . . 0.69999999999999996 109.285 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -58.7 -63.29 1.34 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.361 -0.936 . . . . 1.6699999999999999 109.635 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -27.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.905 -1.118 . . . . 1.74 109.682 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.09 -42.87 93.67 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.871 -1.529 . . . . 1.1200000000000001 106.871 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -66.6 -36.39 82.5 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 106.352 -1.721 . . . . 2.8199999999999998 106.352 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -64.3 -30.92 71.95 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 116.84 -1.944 . . . . 0.83999999999999997 107.935 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.28 -34.89 68.52 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 104.43 -2.433 . . . . 1.5900000000000001 104.43 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' HH21 ' A' ' 16' ' ' ARG . 63.0 t60 -61.88 -53.76 51.3 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.108 -1.037 . . . . 1.75 110.824 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.82 -38.26 79.75 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 117.879 -1.528 . . . . 1.8600000000000001 110.751 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -65.88 -28.5 69.0 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 115.968 -2.293 . . . . 2.8999999999999999 107.173 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.73 -26.04 59.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 104.119 -2.548 . . . . 0.77000000000000002 104.119 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 50' ' ' ARG . 40.9 t0 -71.39 -29.61 65.14 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 104.722 -2.325 . . . . 1.45 104.722 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 49' ' ' TYR . 57.2 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 102.462 -3.162 . . . . 2.02 102.462 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 tp -75.65 16.41 0.39 Allowed 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.345 -1.298 . . . . 2.2000000000000002 109.311 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.587 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 70.4 t80 -128.85 -24.39 2.96 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.795 -1.558 . . . . 2.2599999999999998 106.795 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.469 HH21 ' CG ' ' A' ' 47' ' ' GLU . 79.9 mtm180 -103.26 -63.1 1.21 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.322 -1.362 . . . . 2.8399999999999999 107.322 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 m -59.76 -30.92 69.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 105.107 -2.182 . . . . 2.3999999999999999 105.107 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 49' ' ' TYR . 11.9 p -72.05 -31.85 66.54 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 116.301 -2.159 . . . . 2.75 108.383 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.42 -25.86 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.387 -1.338 . . . . 1.9199999999999999 107.387 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.19 -11.96 7.53 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 117.943 -1.503 . . . . 2.1099999999999999 109.259 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -113.99 -47.37 2.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.852 -1.536 . . . . 4.0099999999999998 106.852 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' C ' ' H ' ' A' ' 58' ' ' ASP . 7.8 m-30 -72.83 7.83 1.8 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.63 -1.168 . . . . 3.1099999999999999 111.133 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.64 44.17 2.74 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 103.127 -3.989 . . . . 4.8499999999999996 103.127 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 56' ' ' PHE . 7.5 p-10 -85.62 34.79 0.59 Allowed 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.365 -0.917 . . . . 7.1900000000000004 112.712 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.37 162.18 26.64 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 117.259 -1.777 . . . . 8.6199999999999992 107.264 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.25 179.04 46.5 Favored Glycine 0 C--N 1.297 -1.637 0 N-CA-C 106.44 -2.664 . . . . 9.7400000000000002 106.44 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -33.6 5.58 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.599 0.823 . . . . 10.960000000000001 109.682 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -151.46 -52.48 0.13 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.254 -1.758 . . . . 13.06 106.254 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 N--CA 1.49 1.564 0 O-C-N 126.78 2.55 . . . . 13.130000000000001 106.069 -179.027 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtm . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.196 -1.038 . . . . 5.6600000000000001 108.196 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 28.5 m -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.963 -1.495 . . . . 4.4500000000000002 106.963 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -61.5 -27.96 68.96 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.666 -1.605 . . . . 5.4500000000000002 106.666 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -57.23 -40.21 77.09 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 118.499 -1.28 . . . . 4.7599999999999998 107.848 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.449 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 66.3 mt-10 -62.36 -44.76 95.7 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.919 -1.511 . . . . 2.5299999999999998 106.919 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.429 ' HZ2' ' C ' ' B' ' 63' ' ' LEU . 58.1 mttp -62.28 -23.58 66.79 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.066 -1.454 . . . . 4.3700000000000001 110.201 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -73.58 -49.04 28.31 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.261 -1.755 . . . . 2.0499999999999998 106.261 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.224 -1.028 . . . . 1.02 108.224 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.44 -42.23 98.43 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.246 -1.391 . . . . 2.8900000000000001 107.246 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.85 -37.05 85.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.045 -1.462 . . . . 2.6400000000000001 109.226 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.86 -39.86 94.23 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.15 -1.42 . . . . 2.9100000000000001 109.865 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.65 95.0 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.302 -1.359 . . . . 0.88 108.542 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.438 ' HB2' ' CE1' ' B' ' 49' ' ' TYR . 41.5 ttm180 -64.72 -32.43 74.1 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.348 -1.341 . . . . 3.8199999999999998 107.968 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.16 -49.29 76.44 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.435 -1.706 . . . . 3.4900000000000002 108.308 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mt -53.84 -43.1 55.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 C-N-CA 118.697 -1.201 . . . . 1.1399999999999999 109.122 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.548 HH21 ' CD2' ' B' ' 42' ' ' HIS . 25.5 ttt85 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.67 -1.612 . . . . 3.21 108.827 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -69.38 -33.79 73.57 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.326 -0.95 . . . . 0.81999999999999995 111.252 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.51 -44.84 93.12 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.673 -1.603 . . . . 1.8 106.673 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.418 HG23 ' SG ' ' B' ' 38' ' ' CYS . 25.6 m -63.66 -39.79 95.22 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 113.38 -1.736 . . . . 0.59999999999999998 109.797 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.452 ' HB2' ' CE1' ' B' ' 42' ' ' HIS . 67.1 tp -61.59 -58.77 6.78 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.282 -1.367 . . . . 1.96 110.982 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -59.45 -38.45 80.74 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.257 -1.338 . . . . 1.2 110.746 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.471 ' HG ' ' SD ' ' A' ' 11' ' ' MET . 3.5 mm? -69.69 -27.99 65.47 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 116.969 -1.892 . . . . 2.4199999999999999 109.557 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.2 -46.1 75.87 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.195 -1.402 . . . . 1.49 107.739 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -52.35 -57.43 9.8 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.879 -1.897 . . . . 1.8899999999999999 105.879 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -59.38 -23.08 62.28 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 112.649 -2.069 . . . . 2.1299999999999999 112.018 -177.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.17 -33.22 65.32 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 116.068 -2.253 . . . . 1.71 105.148 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -65.94 -50.79 63.12 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 117.679 -1.608 . . . . 2.3199999999999998 107.729 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.39 -33.91 73.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.231 -0.895 . . . . 2.6099999999999999 110.793 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 31' ' ' ALA . 74.6 mt -90.01 39.71 0.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.223 -0.899 . . . . 2.4500000000000002 109.635 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 34.03 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 O-C-N 126.202 2.189 . . . . 2.4500000000000002 114.711 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -108.15 46.39 0.96 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 103.929 -2.619 . . . . 1.04 103.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.511 -1.222 . . . . 2.8300000000000001 109.555 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.0 OUTLIER -59.72 -42.17 92.49 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 105.686 -1.968 . . . . 2.1499999999999999 105.686 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -68.59 -22.67 64.44 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 117.447 -1.701 . . . . 2.52 108.676 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.92 94.4 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 106.03 -1.841 . . . . 0.69999999999999996 106.03 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -54.06 50.47 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 123.041 1.4 . . . . 1.6699999999999999 109.043 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 57.1 mt -56.6 -30.54 32.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 113.07 -1.877 . . . . 1.74 108.297 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' B' ' 19' ' ' THR . 33.7 t -75.86 -26.68 57.34 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.068 -1.053 . . . . 1.1200000000000001 110.163 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -68.86 -43.84 74.56 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.5 -2.037 . . . . 2.8199999999999998 105.5 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -58.87 -51.72 68.79 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 117.614 -1.634 . . . . 0.83999999999999997 107.602 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.1 -33.63 69.31 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.118 -0.946 . . . . 1.5900000000000001 109.612 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.548 ' CD2' HH21 ' B' ' 16' ' ' ARG . 30.1 t60 -59.08 -55.43 35.21 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.273 -1.33 . . . . 1.75 109.929 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 16.7 t70 -79.14 -17.69 54.56 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 115.812 -2.355 . . . . 1.8600000000000001 110.021 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.616 -1.994 . . . . 2.8999999999999999 105.616 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.57 64.24 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 103.945 -2.613 . . . . 0.77000000000000002 103.945 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.92 -26.39 36.8 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.387 -1.725 . . . . 1.45 107.454 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.502 ' CD ' HH11 ' B' ' 50' ' ' ARG . 46.9 mm-40 -58.9 -35.34 72.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 104.072 -2.566 . . . . 2.02 104.072 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.86 -50.08 58.52 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 117.879 -1.528 . . . . 2.2000000000000002 107.119 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 64.7 t80 -49.48 -62.65 1.43 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 113.7 -1.591 . . . . 2.2599999999999998 112.402 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.502 HH11 ' CD ' ' B' ' 47' ' ' GLU . 12.1 ptp180 -58.46 -37.53 75.65 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.773 -0.648 . . . . 2.8399999999999999 110.309 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 73.1 m -66.94 -25.96 66.6 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 117.219 -1.792 . . . . 2.3999999999999999 109.757 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.1 m -69.44 -48.46 60.84 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.511 -2.403 . . . . 2.75 104.511 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.55 -22.8 64.05 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 114.418 -1.265 . . . . 1.9199999999999999 109.51 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.12 -59.07 2.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 117.624 -1.63 . . . . 2.1099999999999999 110.887 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.456 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.4 ttt180 -67.56 -52.29 40.46 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 117.934 -1.507 . . . . 4.0099999999999998 110.409 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 15.6 m-85 -64.14 -20.01 65.69 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.339 -1.344 . . . . 3.1099999999999999 109.503 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.26 19.01 1.91 Allowed Glycine 0 N--CA 1.482 1.712 0 C-N-CA 119.043 -1.551 . . . . 4.8499999999999996 112.367 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' B' ' 60' ' ' GLY . 16.7 t70 -58.14 -56.58 20.19 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.008 -1.479 . . . . 7.1900000000000004 107.008 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -85.49 16.68 3.63 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 113.369 -1.741 . . . . 8.6199999999999992 107.123 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' B' ' 58' ' ' ASP . . . 69.41 23.11 76.57 Favored Glycine 0 C--N 1.298 -1.536 0 N-CA-C 107.885 -2.086 . . . . 9.7400000000000002 107.885 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.427 ' CD ' ' HZ3' ' B' ' 6' ' ' LYS . 4.5 mm-40 51.83 39.43 25.68 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.71 -0.848 . . . . 10.960000000000001 108.71 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -65.21 -37.46 87.36 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 104.912 -2.255 . . . . 13.06 104.912 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.429 ' C ' ' HZ2' ' B' ' 6' ' ' LYS . 42.0 mt . . . . . 0 C--N 1.303 -1.454 0 CA-C-O 113.015 -3.374 . . . . 13.130000000000001 102.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.5 mmm . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 107.965 -1.124 . . . . 5.6600000000000001 107.965 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 m -134.43 168.29 19.2 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 106.5 -1.667 . . . . 4.4500000000000002 106.5 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -88.86 -25.37 22.2 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 117.045 -1.862 . . . . 5.4500000000000002 106.568 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -89.99 13.84 13.77 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 105.658 -1.979 . . . . 4.7599999999999998 105.658 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 39.3 tt0 -62.31 -65.68 0.65 Allowed 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.13 -1.396 . . . . 2.5299999999999998 110.127 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -54.49 -37.17 64.98 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.216 -1.811 . . . . 4.3700000000000001 107.819 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -59.21 -46.69 87.78 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.622 -1.172 . . . . 2.0499999999999998 109.509 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.68 83.28 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.65 -1.22 . . . . 1.02 109.04 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.09 -23.83 60.58 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 116.763 -1.975 . . . . 2.8900000000000001 108.755 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.22 -27.55 66.47 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 104.947 -2.242 . . . . 2.6400000000000001 104.947 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.5 mtp -80.76 -24.36 38.72 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.13 -1.804 . . . . 2.9100000000000001 106.13 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.29 70.57 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.441 -1.688 . . . . 0.88 106.441 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -60.24 -32.44 71.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 105.995 -1.854 . . . . 3.8199999999999998 105.995 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -64.83 -36.76 85.36 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.614 -1.634 . . . . 3.4900000000000002 108.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.56 -40.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 105.785 -1.932 . . . . 1.1399999999999999 105.785 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' HE ' ' CE1' ' A' ' 42' ' ' HIS . 9.5 ttt85 -58.0 -50.03 74.79 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 105.73 -1.952 . . . . 3.21 105.73 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 m -55.22 -34.55 64.05 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.581 -1.19 . . . . 0.81999999999999995 113.267 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -63.47 -46.87 84.19 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.086 -1.846 . . . . 1.8 106.417 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -63.55 -21.23 66.23 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.544 -2.116 . . . . 0.59999999999999998 109.299 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -69.59 -59.48 2.94 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.845 -2.65 . . . . 1.96 103.845 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -21.55 30.1 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 113.675 -1.602 . . . . 1.2 110.415 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.63 -40.21 23.27 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 117.316 -1.754 . . . . 2.4199999999999999 107.093 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.2 -59.71 4.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.224 -1.353 . . . . 1.49 110.601 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.462 ' CD ' ' HZ2' ' A' ' 25' ' ' LYS . 2.8 pt-20 -55.1 -49.29 72.09 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.901 -1.12 . . . . 1.8899999999999999 111.788 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HZ2' ' CD ' ' A' ' 24' ' ' GLU . 9.6 mmtm -58.97 -41.95 88.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.527 -1.269 . . . . 2.1299999999999999 111.675 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.72 -40.79 98.3 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.368 -1.733 . . . . 1.71 107.64 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.1 -46.6 82.46 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.3 -1.318 . . . . 2.3199999999999998 108.947 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.0 -26.14 67.4 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 113.919 -1.491 . . . . 2.6099999999999999 110.653 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.99 25.0 2.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.852 -1.139 . . . . 2.4500000000000002 108.26 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 51.97 18.72 0.85 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.729 1.268 . . . . 2.4500000000000002 110.31 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB2' ' NE2' ' A' ' 34' ' ' GLN . . . -96.5 60.54 1.9 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 104.775 -2.306 . . . . 1.04 104.775 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.83 -25.19 62.73 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.321 -1.752 . . . . 2.8300000000000001 110.121 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.91 -50.83 72.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.039 -2.208 . . . . 2.1499999999999999 105.039 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' A' ' 31' ' ' ALA . 52.6 mt-30 -67.44 -25.98 66.18 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 110.953 -2.84 . . . . 2.52 108.407 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.24 79.84 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 117.011 -1.876 . . . . 0.69999999999999996 107.063 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.27 -57.21 13.19 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.483 -1.287 . . . . 1.6699999999999999 109.793 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.69 -32.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 114.061 -1.427 . . . . 1.74 108.661 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 117.805 -1.558 . . . . 1.1200000000000001 110.73 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.69 -48.03 23.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 102.119 -3.289 . . . . 2.8199999999999998 102.119 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -52.18 -33.83 42.44 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 118.052 -1.459 . . . . 0.83999999999999997 109.247 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 tp -75.86 -36.6 59.53 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.309 -1.737 . . . . 1.5900000000000001 106.309 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.502 ' CE1' ' HE ' ' A' ' 16' ' ' ARG . 12.7 t60 -58.85 -63.75 1.18 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.635 -1.62 . . . . 1.75 108.629 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.95 -18.55 64.1 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 117.392 -1.723 . . . . 1.8600000000000001 111.376 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -44.63 89.58 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 104.657 -2.349 . . . . 2.8999999999999999 104.657 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.45 -26.32 68.39 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.538 -1.265 . . . . 0.77000000000000002 108.142 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' CB ' ' NH1' ' A' ' 16' ' ' ARG . 15.0 t70 -78.56 -31.49 47.38 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 117.51 -1.676 . . . . 1.45 108.444 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.37 -42.59 98.87 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.83 -1.548 . . . . 2.02 112.04 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -69.61 -4.08 17.76 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 116.477 -2.089 . . . . 2.2000000000000002 110.41 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.43 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 6.9 t80 -115.02 -6.09 12.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 124.716 1.26 . . . . 2.2599999999999998 108.438 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -108.94 -91.73 0.44 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.005 -0.998 . . . . 2.8399999999999999 113.376 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -53.91 -40.24 66.51 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 118.306 -1.358 . . . . 2.3999999999999999 108.801 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.95 -44.19 85.75 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.073 -1.851 . . . . 2.75 107.412 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 26.5 tp -55.56 -24.27 31.54 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 116.535 -2.066 . . . . 1.9199999999999999 112.014 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' LEU . . . -43.03 -43.91 4.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 125.13 1.519 . . . . 2.1099999999999999 107.154 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -112.22 -72.16 0.72 Allowed 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 103.562 -2.755 . . . . 4.0099999999999998 103.562 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CE2' ' HG3' ' A' ' 5' ' ' GLU . 40.7 t80 155.02 59.33 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 102.072 -3.307 . . . . 3.1099999999999999 102.072 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.37 141.71 12.08 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 106.794 -2.522 . . . . 4.8499999999999996 106.794 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -148.43 -22.29 0.33 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 114.219 1.192 . . . . 7.1900000000000004 114.219 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.93 120.3 16.31 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 116.458 -2.097 . . . . 8.6199999999999992 112.205 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.66 -85.62 0.09 OUTLIER Glycine 0 N--CA 1.481 1.663 0 C-N-CA 119.477 -1.344 . . . . 9.7400000000000002 111.525 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 72.82 167.33 0.31 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 105.594 -2.002 . . . . 10.960000000000001 105.594 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.39 136.94 49.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.662 -1.607 . . . . 13.06 106.662 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 102.229 -3.248 . . . . 13.130000000000001 102.229 179.571 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 mtp . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 104.973 -2.232 . . . . 5.6600000000000001 104.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.56 -171.98 3.79 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 103.908 -2.627 . . . . 4.4500000000000002 103.908 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -89.85 -61.34 1.71 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.556 -1.258 . . . . 5.4500000000000002 110.431 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.411 ' CD ' ' H ' ' B' ' 4' ' ' GLN . 0.1 OUTLIER -46.27 -44.35 16.39 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.489 -0.778 . . . . 4.7599999999999998 112.719 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -32.25 70.77 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 117.581 -1.648 . . . . 2.5299999999999998 110.712 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -32.33 73.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.727 -1.953 . . . . 4.3700000000000001 105.727 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -64.95 -36.82 85.61 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 106.548 -1.649 . . . . 2.0499999999999998 106.548 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.2 99.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.655 -1.618 . . . . 1.02 107.477 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.21 -34.52 75.22 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.595 -1.242 . . . . 2.8900000000000001 108.618 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -63.58 -31.35 72.49 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 117.945 -1.502 . . . . 2.6400000000000001 109.266 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 43.3 tpp -66.05 -41.36 90.95 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.427 -1.709 . . . . 2.9100000000000001 107.661 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.83 80.88 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.545 -1.28 . . . . 0.88 107.545 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -63.4 -32.67 74.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.712 -1.586 . . . . 3.8199999999999998 107.982 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.12 -39.52 86.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 118.23 -1.388 . . . . 3.4900000000000002 109.736 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.57 -48.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 105.744 -1.947 . . . . 1.1399999999999999 105.744 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.423 HH12 ' HB2' ' B' ' 46' ' ' ASP . 17.0 ttm-85 -50.18 -42.91 52.07 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.26 -1.337 . . . . 3.21 109.497 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -57.05 -50.96 71.14 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.261 -1.376 . . . . 0.81999999999999995 109.757 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.98 -35.2 77.8 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 117.525 -1.67 . . . . 1.8 110.534 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -55.22 -47.8 74.83 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 118.346 -1.341 . . . . 0.59999999999999998 107.812 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.25 -36.09 80.97 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.247 -1.381 . . . . 1.96 107.981 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -62.41 -27.2 68.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.193 -1.403 . . . . 1.2 108.602 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.05 -21.87 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.298 -1.361 . . . . 2.4199999999999999 109.588 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.41 -48.59 74.14 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 105.138 -2.171 . . . . 1.49 105.138 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -46.78 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 110.943 -2.844 . . . . 1.8899999999999999 109.474 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -55.59 -59.09 5.33 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 111.381 -2.645 . . . . 2.1299999999999999 113.077 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -51.03 -31.06 17.13 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.068 -1.053 . . . . 1.71 111.282 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -74.26 -56.73 4.55 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 117.735 -1.586 . . . . 2.3199999999999998 110.0 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' B' ' 30' ' ' ASP . 46.1 mm-40 -62.25 -13.41 27.8 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.205 -0.998 . . . . 2.6099999999999999 110.152 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -82.86 20.64 1.14 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.45 -0.9 . . . . 2.4500000000000002 108.583 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' B' ' 28' ' ' GLU . 16.3 t70 55.28 75.49 0.31 Allowed 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.507 1.13 . . . . 2.4500000000000002 109.039 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.53 71.11 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 112.982 -1.917 . . . . 1.04 106.805 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.76 -29.89 67.11 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.392 -1.336 . . . . 2.8300000000000001 107.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.74 -62.62 1.73 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.594 -2.002 . . . . 2.1499999999999999 105.594 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -55.33 -23.7 25.22 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.437 -1.256 . . . . 2.52 110.165 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.69 58.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.569 -1.653 . . . . 0.69999999999999996 108.529 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.43 -63.65 1.05 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 117.968 -1.493 . . . . 1.6699999999999999 108.665 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 35.8 mm -44.54 -37.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 125.691 1.869 . . . . 1.74 109.828 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 40.3 t -60.46 -52.91 63.18 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 117.169 -1.812 . . . . 1.1200000000000001 107.252 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -75.87 -4.59 41.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 115.915 -2.314 . . . . 2.8199999999999998 112.115 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -74.64 -32.86 62.4 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 100.825 -3.768 . . . . 0.83999999999999997 100.825 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.6 tp -67.08 -45.71 76.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 105.186 -2.153 . . . . 1.5900000000000001 105.186 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -50.23 -56.61 10.38 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 113.964 -1.471 . . . . 1.75 109.248 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.33 -53.81 48.83 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.719 -1.128 . . . . 1.8600000000000001 112.04 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.04 -27.4 65.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.556 -1.202 . . . . 2.8999999999999999 110.587 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.14 67.12 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.36 -1.736 . . . . 0.77000000000000002 108.154 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.423 ' HB2' HH12 ' B' ' 16' ' ' ARG . 32.5 t0 -72.09 -28.53 63.37 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 116.92 -1.912 . . . . 1.45 107.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.87 -43.53 88.08 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 116.464 -2.094 . . . . 2.02 105.666 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -20.51 66.13 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.065 -1.425 . . . . 2.2000000000000002 107.63 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -97.71 -89.58 0.29 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 118.106 -1.438 . . . . 2.2599999999999998 109.325 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -39.33 -60.54 0.9 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 114.455 1.28 . . . . 2.8399999999999999 114.455 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.4 m -59.12 -54.37 47.79 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 117.704 -1.598 . . . . 2.3999999999999999 108.456 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' B' ' 57' ' ' GLY . 58.4 m -71.79 3.27 4.32 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 115.826 -2.35 . . . . 2.75 111.052 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -42.42 11.16 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 115.499 -2.48 . . . . 1.9199999999999999 106.423 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.13 -42.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 125.233 1.583 . . . . 2.1099999999999999 111.399 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' B' ' 57' ' ' GLY . 8.5 ttp180 -117.8 -7.81 10.92 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 115.105 -0.952 . . . . 4.0099999999999998 109.654 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' B' ' 52' ' ' CYS . 26.2 t80 63.55 51.95 2.41 Favored 'General case' 0 N--CA 1.485 1.311 1 N-CA-C 90.634 -7.543 . . . . 3.1099999999999999 90.634 -174.224 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' B' ' 52' ' ' CYS . . . 162.18 158.65 9.69 Favored Glycine 0 C--N 1.292 -1.908 1 N-CA-C 102.586 -4.205 . . . . 4.8499999999999996 102.586 -179.171 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -38.85 142.41 0.21 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 125.293 1.231 . . . . 7.1900000000000004 112.833 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' B' ' 60' ' ' GLY . 21.2 t70 -92.41 -106.78 0.11 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 123.928 0.768 . . . . 8.6199999999999992 111.631 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' B' ' 59' ' ' ASP . . . -70.03 -12.34 68.22 Favored Glycine 0 N--CA 1.478 1.479 0 C-N-CA 119.585 -1.293 . . . . 9.7400000000000002 111.227 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' B' ' 61' ' ' GLU . 4.7 mp0 -64.1 -42.29 96.94 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.019 -2.215 . . . . 10.960000000000001 105.019 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.458 HD21 ' N ' ' B' ' 62' ' ' ASN . 0.0 OUTLIER 173.24 158.83 0.12 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 104.174 -2.528 . . . . 13.06 104.174 179.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.301 -1.523 0 N-CA-C 104.431 -2.433 . . . . 13.130000000000001 104.431 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 108.893 -0.78 . . . . 5.6600000000000001 108.893 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m -133.8 160.39 37.75 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.441 -1.689 . . . . 4.4500000000000002 106.441 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -46.49 84.6 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 106.103 -1.814 . . . . 5.4500000000000002 106.103 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -51.22 -46.72 62.33 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.302 -0.959 . . . . 4.7599999999999998 110.459 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 81.1 mt-10 -57.75 -44.02 85.79 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 124.444 1.09 . . . . 2.5299999999999998 110.235 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.06 -33.43 74.37 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.605 -1.257 . . . . 4.3700000000000001 107.605 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 m -74.15 -33.29 63.45 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.249 -1.38 . . . . 2.0499999999999998 107.464 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.55 70.71 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.298 -0.961 . . . . 1.02 109.827 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 mt -74.01 -50.92 17.63 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.825 -1.55 . . . . 2.8900000000000001 108.464 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.46 -34.53 66.97 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.134 -1.432 . . . . 2.6400000000000001 107.134 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.561 ' SD ' HD11 ' B' ' 22' ' ' LEU . 12.4 tmm? -69.08 -46.66 67.22 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.462 -1.245 . . . . 2.9100000000000001 109.894 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.82 71.55 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.653 -1.219 . . . . 0.88 108.402 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -70.99 -32.95 69.93 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 105.117 -2.179 . . . . 3.8199999999999998 105.117 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -67.33 -44.02 80.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.102 -1.439 . . . . 3.4900000000000002 108.483 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.3 -40.45 81.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 106.024 -1.843 . . . . 1.1399999999999999 106.024 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.82 -33.33 75.44 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.428 -1.709 . . . . 3.21 107.982 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 m -66.05 -35.66 81.14 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 106.809 -1.552 . . . . 0.81999999999999995 106.809 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.02 -34.67 73.57 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.512 -1.675 . . . . 1.8 107.91 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -64.84 -24.86 67.67 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 117.946 -1.502 . . . . 0.59999999999999998 107.203 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -48.88 56.04 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 102.035 -3.32 . . . . 1.96 102.035 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 114.43 -1.259 . . . . 1.2 109.765 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 83.6 mt -85.02 -38.51 19.12 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.264 -1.375 . . . . 2.4199999999999999 107.649 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.58 -35.0 75.01 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.154 -1.795 . . . . 1.49 106.154 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -61.82 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 112.973 -1.921 . . . . 1.8899999999999999 107.456 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -45.74 -40.92 10.08 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.31 -1.768 . . . . 2.1299999999999999 114.41 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.57 -42.85 86.42 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 116.721 -1.992 . . . . 1.71 107.848 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -66.07 -55.73 15.07 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 117.706 -1.598 . . . . 2.3199999999999998 112.573 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.56 -33.2 73.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 117.858 -1.537 . . . . 2.6099999999999999 111.416 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.7 mp -86.19 21.67 1.97 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.69 -1.604 . . . . 2.4500000000000002 111.695 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.1 t70 54.39 75.22 0.3 Allowed 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.518 1.152 . . . . 2.4500000000000002 110.025 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -146.33 55.45 1.15 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 101.966 -3.346 . . . . 1.04 101.966 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -52.36 -49.5 64.22 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 112.442 -2.163 . . . . 2.8300000000000001 113.325 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.31 -32.77 73.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 117.023 -1.871 . . . . 2.1499999999999999 108.767 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.3 -25.5 62.46 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 117.071 -1.851 . . . . 2.52 106.079 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -53.35 31.28 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.076 -1.824 . . . . 0.69999999999999996 106.076 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -45.12 -56.0 5.16 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 122.68 1.229 . . . . 1.6699999999999999 110.367 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.04 -39.1 77.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-N 113.774 -1.557 . . . . 1.74 109.317 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 22' ' ' LEU . 41.2 t -68.23 -30.83 69.98 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.178 -1.009 . . . . 1.1200000000000001 112.221 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -42.78 63.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.489 -1.671 . . . . 2.8199999999999998 106.489 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 m -63.29 -30.94 71.98 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.882 -1.525 . . . . 0.83999999999999997 106.882 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -74.43 -29.56 61.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.11 -1.441 . . . . 1.5900000000000001 107.11 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -64.32 -49.11 73.05 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.042 -1.436 . . . . 1.75 108.322 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.2 -42.58 93.42 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.128 -1.429 . . . . 1.8600000000000001 107.939 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -58.68 -31.74 68.48 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 113.733 -1.576 . . . . 2.8999999999999999 109.265 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.531 -2.026 . . . . 0.77000000000000002 105.531 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -75.37 -20.99 58.66 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.241 -1.784 . . . . 1.45 106.322 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -72.06 -39.19 69.23 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 104.548 -2.39 . . . . 2.02 104.548 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.8 tp -63.97 -12.19 35.42 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.818 -1.549 . . . . 2.2000000000000002 106.818 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -97.4 -31.45 12.37 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.522 -1.658 . . . . 2.2599999999999998 106.522 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 -77.59 -63.44 1.38 Allowed 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 112.834 0.679 . . . . 2.8399999999999999 112.834 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 p -54.36 -41.08 68.73 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.425 -1.31 . . . . 2.3999999999999999 109.613 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 96.9 m -62.65 -45.69 91.67 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.566 -1.654 . . . . 2.75 108.137 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.39 -24.7 66.68 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.486 -1.286 . . . . 1.9199999999999999 109.089 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.48 -40.63 76.95 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 116.884 -1.926 . . . . 2.1099999999999999 107.128 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -79.29 -20.32 48.3 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 117.445 -1.702 . . . . 4.0099999999999998 111.22 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 52' ' ' CYS . 16.8 m-30 -89.5 -22.43 22.46 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 118.418 -1.313 . . . . 3.1099999999999999 109.428 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.44 72.45 1.3 Allowed Glycine 0 N--CA 1.48 1.572 0 N-CA-C 105.654 -2.978 . . . . 4.8499999999999996 105.654 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.3 135.82 57.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.121 -1.807 . . . . 7.1900000000000004 106.121 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.432 ' HB3' ' H ' ' A' ' 63' ' ' LEU . 13.2 t70 -76.57 -42.58 42.21 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 102.956 -2.979 . . . . 8.6199999999999992 102.956 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.46 -50.42 4.34 Favored Glycine 0 N--CA 1.479 1.504 0 CA-C-N 113.082 -1.872 . . . . 9.7400000000000002 111.282 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -82.22 7.25 14.23 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 118.628 -1.229 . . . . 10.960000000000001 110.87 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.62 -40.78 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.419 -1.697 . . . . 13.06 106.419 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.432 ' H ' ' HB3' ' A' ' 59' ' ' ASP . 61.7 mt . . . . . 0 C--N 1.301 -1.524 0 N-CA-C 101.945 -3.354 . . . . 13.130000000000001 101.945 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.433 ' N ' ' CG ' ' B' ' 58' ' ' ASP . 66.6 mmm . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.033 -1.099 . . . . 5.6600000000000001 108.033 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 40.8 p -152.25 -175.59 5.32 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.845 -1.539 . . . . 4.4500000000000002 106.845 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -8.48 58.19 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.045 -1.062 . . . . 5.4500000000000002 113.14 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.63 -44.84 93.33 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 106.498 -1.668 . . . . 4.7599999999999998 106.498 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.532 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 32.8 mt-10 -57.18 -47.9 80.07 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 111.949 -2.387 . . . . 2.5299999999999998 108.733 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.62 -35.2 73.88 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.259 -1.337 . . . . 4.3700000000000001 108.982 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -63.53 -44.4 94.37 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.138 -1.43 . . . . 2.0499999999999998 107.138 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.93 72.27 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.689 -1.204 . . . . 1.02 108.965 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.81 -44.84 90.93 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.383 -1.71 . . . . 2.8900000000000001 106.383 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -66.75 -31.08 71.49 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 114.251 -1.341 . . . . 2.6400000000000001 110.357 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 37.8 mmt -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.503 -1.679 . . . . 2.9100000000000001 108.343 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.52 92.86 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.754 -1.578 . . . . 0.88 107.453 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -62.76 -30.03 71.13 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 118.638 -1.225 . . . . 3.8199999999999998 109.499 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.21 -55.72 25.78 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.291 -1.364 . . . . 3.4900000000000002 109.216 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.15 -31.95 27.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 112.881 -1.963 . . . . 1.1399999999999999 108.056 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.526 ' CZ ' ' HB2' ' B' ' 16' ' ' ARG . 23.9 ttm105 -65.53 -47.98 74.05 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 118.378 -1.329 . . . . 3.21 110.038 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -54.64 -47.41 73.54 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.085 -0.961 . . . . 0.81999999999999995 111.041 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -66.41 -43.94 84.34 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 115.523 -2.471 . . . . 1.8 109.198 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -54.1 -33.71 58.34 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.123 -1.031 . . . . 0.59999999999999998 109.867 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.97 -56.53 19.98 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.155 -1.795 . . . . 1.96 106.155 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -61.95 -26.78 68.4 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.169 -1.012 . . . . 1.2 111.046 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.561 HD11 ' SD ' ' A' ' 11' ' ' MET . 66.5 mt -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.477 -1.289 . . . . 2.4199999999999999 109.584 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.07 -47.81 74.38 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.005 -2.591 . . . . 1.49 104.005 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.485 ' HA ' ' ND2' ' B' ' 27' ' ' ASN . 35.0 tt0 -56.96 -42.65 80.53 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 112.552 -2.113 . . . . 1.8899999999999999 108.099 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.465 ' HZ1' ' HA ' ' B' ' 25' ' ' LYS . 6.4 mmtm -62.36 -30.17 70.99 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 117.353 -1.739 . . . . 2.1299999999999999 110.756 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.74 -43.95 67.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 115.796 -2.362 . . . . 1.71 106.827 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.485 ' ND2' ' HA ' ' B' ' 24' ' ' GLU . 7.2 p30 -75.81 -11.44 59.98 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 117.8 -1.56 . . . . 2.3199999999999998 109.795 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' B' ' 30' ' ' ASP . 42.2 tt0 -71.93 -46.59 57.05 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.686 -2.709 . . . . 2.6099999999999999 103.686 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' B' ' 31' ' ' ALA . 39.0 mt -89.99 40.04 0.99 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.44 -1.709 . . . . 2.4500000000000002 107.196 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' B' ' 28' ' ' GLU . 5.1 p-10 34.21 21.03 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 126.809 2.568 . . . . 2.4500000000000002 114.585 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.69 63.99 4.78 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 103.318 -2.845 . . . . 1.04 103.318 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.37 -27.28 68.45 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.021 -1.445 . . . . 2.8300000000000001 108.919 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' B' ' 34' ' ' GLN . 1.4 mp0 -63.92 -50.17 69.77 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 104.732 -2.322 . . . . 2.1499999999999999 104.732 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.451 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -69.18 -14.67 63.11 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 116.341 -2.144 . . . . 2.52 109.069 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.94 69.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.209 -2.145 . . . . 0.69999999999999996 105.209 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.39 -47.35 84.17 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 117.843 -1.543 . . . . 1.6699999999999999 108.737 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.05 -33.61 43.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 113.918 -1.492 . . . . 1.74 107.864 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.74 -38.58 86.93 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.167 -1.79 . . . . 1.1200000000000001 106.167 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.56 -19.29 60.39 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.177 -1.809 . . . . 2.8199999999999998 109.272 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -68.73 -37.46 79.47 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 101.846 -3.39 . . . . 0.83999999999999997 101.846 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.03 -40.06 87.14 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 106.636 -1.616 . . . . 1.5900000000000001 106.636 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -53.64 -59.94 3.95 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.52 -0.764 . . . . 1.75 110.039 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.76 -44.73 84.99 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.893 1.071 . . . . 1.8600000000000001 113.893 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.24 -23.51 65.72 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.482 -1.687 . . . . 2.8999999999999999 108.898 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.3 -24.0 46.89 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 103.629 -2.73 . . . . 0.77000000000000002 103.629 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.504 ' HB3' ' NH1' ' B' ' 50' ' ' ARG . 8.3 t70 -80.0 -18.69 49.61 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 105.767 -1.938 . . . . 1.45 105.767 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' B' ' 49' ' ' TYR . 19.0 mm-40 -65.58 -26.56 67.91 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 104.459 -2.422 . . . . 2.02 104.459 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -83.82 38.48 0.64 Allowed 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.109 -1.812 . . . . 2.2000000000000002 106.109 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.544 ' H ' ' C ' ' B' ' 47' ' ' GLU . 30.3 t80 -148.58 -43.94 0.15 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 100.975 -3.713 . . . . 2.2599999999999998 100.975 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.504 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 41.4 mtm-85 -74.55 -70.01 0.43 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 105.866 -1.901 . . . . 2.8399999999999999 105.866 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.8 m -57.29 -38.75 74.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.433 -1.258 . . . . 2.3999999999999999 108.264 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 65.4 m -63.37 -35.83 81.71 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 116.206 -2.198 . . . . 2.75 109.972 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -71.25 -23.22 61.95 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.172 -1.411 . . . . 1.9199999999999999 107.973 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.59 69.37 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.129 -1.828 . . . . 2.1099999999999999 108.538 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -101.48 -29.49 11.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.323 -1.351 . . . . 4.0099999999999998 108.945 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.532 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 13.8 m-30 -91.73 13.96 16.68 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 115.513 -0.767 . . . . 3.1099999999999999 109.883 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.53 39.18 2.79 Favored Glycine 0 N--CA 1.485 1.906 0 N-CA-C 109.064 -1.614 . . . . 4.8499999999999996 109.064 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' B' ' 56' ' ' PHE . 6.8 p-10 -104.69 -174.38 2.52 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 103.881 -2.637 . . . . 7.1900000000000004 103.881 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -160.63 142.8 12.67 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 104.218 -2.512 . . . . 8.6199999999999992 104.218 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.79 21.25 0.2 Allowed Glycine 0 C--N 1.29 -2.017 0 N-CA-C 104.494 -3.442 . . . . 9.7400000000000002 104.494 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.24 -9.34 1.13 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.151 -1.02 . . . . 10.960000000000001 111.186 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' B' ' 63' ' ' LEU . 3.8 t30 -71.52 156.76 39.06 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 117.15 -1.82 . . . . 13.06 106.613 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.444 ' N ' ' ND2' ' B' ' 62' ' ' ASN . 65.8 tp . . . . . 0 C--N 1.303 -1.416 0 N-CA-C 103.979 -2.6 . . . . 13.130000000000001 103.979 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mtp . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 104.46 -2.422 . . . . 5.6600000000000001 104.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.442 ' H ' ' CD ' ' A' ' 5' ' ' GLU 0.25 0.0 OUTLIER -146.03 -148.31 0.24 Allowed 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 104.304 -2.48 . . . . 4.4500000000000002 104.304 -178.397 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -90.05 -91.59 0.14 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.113 -1.035 . . . . 5.4500000000000002 111.027 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -80.67 17.83 1.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 113.353 0.872 . . . . 4.7599999999999998 113.353 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . 7.3 pm0 -71.94 -35.34 69.58 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 103.833 -2.654 . . . . 2.5299999999999998 103.833 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -61.95 -38.07 87.1 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.183 -1.414 . . . . 4.3700000000000001 107.183 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 m -56.98 -44.07 82.33 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.65 -1.22 . . . . 2.0499999999999998 109.099 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -57.52 11.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.874 -1.53 . . . . 1.02 109.766 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.41 -12.81 59.07 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.666 -1.152 . . . . 2.8900000000000001 111.677 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.562 -1.655 . . . . 2.6400000000000001 106.753 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmm -68.31 -41.16 81.27 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 105.98 -1.859 . . . . 2.9100000000000001 105.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.15 73.62 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.669 -1.212 . . . . 0.88 108.544 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 36.4 ttp180 -62.17 -43.77 98.08 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 106.175 -1.787 . . . . 3.8199999999999998 106.175 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.44 ' CE1' ' NH2' ' A' ' 13' ' ' ARG . 23.5 m-85 -62.04 -37.44 84.96 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 117.268 -1.773 . . . . 3.4900000000000002 108.851 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -59.6 -41.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 C-N-CA 116.859 -1.936 . . . . 1.1399999999999999 107.439 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.557 HH21 ' CG ' ' A' ' 42' ' ' HIS . 22.8 ttt85 -61.14 -36.63 80.28 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.642 -1.623 . . . . 3.21 107.588 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.42 -40.5 95.89 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.289 -1.364 . . . . 0.81999999999999995 109.337 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.35 -33.01 74.33 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.054 -1.459 . . . . 1.8 108.322 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.7 m -64.82 -28.18 69.39 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.012 -1.477 . . . . 0.59999999999999998 107.012 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.72 -51.44 64.96 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 103.308 -2.849 . . . . 1.96 103.308 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 m -53.11 -35.25 59.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.211 -1.396 . . . . 1.2 110.021 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.08 -45.03 90.52 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 116.726 -1.989 . . . . 2.4199999999999999 107.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.29 -48.83 45.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 124.321 1.013 . . . . 1.49 108.486 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -51.96 -68.08 0.2 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.816 -1.538 . . . . 1.8899999999999999 110.696 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 -40.64 37.39 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 113.925 -1.488 . . . . 2.1299999999999999 111.178 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.36 -39.21 92.03 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 118.471 -1.292 . . . . 1.71 110.102 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.1 -44.66 83.74 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 117.748 -1.581 . . . . 2.3199999999999998 108.519 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.13 -46.2 86.03 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.241 -1.345 . . . . 2.6099999999999999 111.668 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.71 24.4 2.36 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.719 -1.192 . . . . 2.4500000000000002 112.455 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.8 t0 48.44 70.72 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 122.92 1.343 . . . . 2.4500000000000002 111.598 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.73 60.8 1.69 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 102.377 -3.194 . . . . 1.04 102.377 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.86 -47.54 84.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.894 -1.503 . . . . 2.8300000000000001 113.076 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -40.34 85.29 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 117.091 -1.844 . . . . 2.1499999999999999 109.111 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -72.9 -22.41 60.75 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 116.978 -1.889 . . . . 2.52 107.382 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.68 78.23 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 105.662 -1.977 . . . . 0.69999999999999996 105.662 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.66 -53.76 53.9 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.596 -1.242 . . . . 1.6699999999999999 110.514 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.71 -32.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 117.965 -1.494 . . . . 1.74 107.268 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.45 -29.64 65.1 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 117.674 -1.61 . . . . 1.1200000000000001 109.393 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.2 -53.4 9.9 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.053 0.93 . . . . 2.8199999999999998 109.277 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 p -56.74 -34.03 67.14 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 118.279 -1.368 . . . . 0.83999999999999997 107.607 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -75.13 -35.32 61.7 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.84 -1.144 . . . . 1.5900000000000001 108.249 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CG ' HH21 ' A' ' 16' ' ' ARG . 1.3 t60 -51.25 -46.18 62.27 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 113.86 -1.518 . . . . 1.75 107.813 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CG ' HH22 ' A' ' 16' ' ' ARG . 4.3 m-20 -90.92 -21.3 21.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.997 -1.081 . . . . 1.8600000000000001 112.32 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.97 -39.68 94.68 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.044 -1.836 . . . . 2.8999999999999999 106.044 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.63 -15.06 63.12 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 113.451 -1.704 . . . . 0.77000000000000002 107.77 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 10.3 t70 -85.05 -28.59 25.57 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.848 -1.541 . . . . 1.45 107.239 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.12 -48.39 81.84 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 116.22 -2.192 . . . . 2.02 108.584 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.561 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 4.2 pp -67.03 -9.36 38.27 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.472 -1.691 . . . . 2.2000000000000002 109.832 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -94.5 -77.57 0.46 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.25 -0.887 . . . . 2.2599999999999998 109.094 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -68.74 -55.03 12.64 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 115.748 1.759 . . . . 2.8399999999999999 115.748 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 m -50.18 -45.91 53.87 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.179 -1.408 . . . . 2.3999999999999999 108.839 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' A' ' 48' ' ' LEU . 99.7 m -65.24 -48.63 72.62 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 117.876 -1.529 . . . . 2.75 107.959 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 tp -48.81 -21.61 0.66 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.743 -0.783 . . . . 1.9199999999999999 111.787 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.5 -55.75 17.23 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 104.859 -2.275 . . . . 2.1099999999999999 104.859 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 57' ' ' GLY . 63.7 ttt-85 -90.88 -75.4 0.47 Allowed 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 103.029 -2.952 . . . . 4.0099999999999998 103.029 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 5' ' ' GLU . 52.9 t80 154.39 66.13 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.76 1 N-CA-C 97.617 -4.957 . . . . 3.1099999999999999 97.617 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' O ' ' NH1' ' A' ' 55' ' ' ARG . . . 48.07 -143.97 6.63 Favored Glycine 0 N--CA 1.481 1.651 0 N-CA-C 108.355 -1.898 . . . . 4.8499999999999996 108.355 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 21.39 -159.64 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 128.745 3.262 . . . . 7.1900000000000004 118.298 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' A' ' 60' ' ' GLY . 18.0 t0 -163.0 -167.63 1.55 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 102.552 -3.129 . . . . 8.6199999999999992 102.552 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.571 ' H ' ' CG ' ' A' ' 59' ' ' ASP . . . 141.51 -16.35 2.68 Favored Glycine 0 C--N 1.297 -1.594 0 N-CA-C 104.474 -3.451 . . . . 9.7400000000000002 104.474 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 61' ' ' GLU . 16.9 mp0 -93.6 -32.16 14.22 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.024 -1.473 . . . . 10.960000000000001 107.024 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' N ' ' A' ' 63' ' ' LEU . 1.9 t30 -81.99 155.49 25.16 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.778 -1.934 . . . . 13.06 105.778 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' N ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.302 -1.5 0 CA-C-O 114.365 -2.731 . . . . 13.130000000000001 107.545 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.455 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 103.518 -2.771 . . . . 5.6600000000000001 103.518 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.502 ' H ' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -139.65 -179.88 6.17 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 104.317 -2.475 . . . . 4.4500000000000002 104.317 -178.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -90.06 -28.39 19.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 105.575 -2.009 . . . . 5.4500000000000002 105.575 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -44.72 -55.47 5.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 124.227 0.954 . . . . 4.7599999999999998 111.416 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.548 ' HB2' ' CD1' ' B' ' 56' ' ' PHE . 8.7 pt-20 -53.44 -41.24 65.88 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 114.285 -1.325 . . . . 2.5299999999999998 110.287 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -63.29 -38.25 90.41 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.4 -1.333 . . . . 4.3700000000000001 107.4 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -63.51 -33.33 75.33 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.963 -1.017 . . . . 2.0499999999999998 108.375 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.6 93.33 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 105.601 -2.0 . . . . 1.02 105.601 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.18 -28.7 68.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.47 -2.092 . . . . 2.8900000000000001 109.403 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.38 -31.66 71.56 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 117.253 -1.779 . . . . 2.6400000000000001 107.184 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 52.8 tpp -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.222 -1.77 . . . . 2.9100000000000001 106.222 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.07 -34.14 71.61 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.37 -1.332 . . . . 0.88 109.584 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.426 ' NH1' ' CD2' ' B' ' 49' ' ' TYR . 0.3 OUTLIER -64.43 -39.92 94.75 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.112 -1.435 . . . . 3.8199999999999998 107.504 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -65.67 -42.24 91.54 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.963 -1.495 . . . . 3.4900000000000002 109.761 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.44 -24.86 36.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 106.554 -1.647 . . . . 1.1399999999999999 106.554 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.515 ' CZ ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -73.78 -41.48 62.36 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.908 -1.515 . . . . 3.21 106.908 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -60.22 -40.56 90.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.638 -1.986 . . . . 0.81999999999999995 105.638 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.67 -44.83 73.68 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 118.436 -1.306 . . . . 1.8 108.499 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -55.12 -52.33 63.59 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 124.387 1.055 . . . . 0.59999999999999998 108.358 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.5 -0.88 . . . . 1.96 110.584 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -63.47 -31.47 72.64 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.206 -1.398 . . . . 1.2 108.915 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.25 -37.64 63.72 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 115.6 -2.44 . . . . 2.4199999999999999 106.793 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 tp -47.92 -51.24 24.15 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.746 -1.205 . . . . 1.49 107.746 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -49.97 -67.92 0.22 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 112.938 -1.937 . . . . 1.8899999999999999 110.411 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' B' ' 25' ' ' LYS . 1.3 mptp? -63.45 -19.04 64.38 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.312 -1.355 . . . . 2.1299999999999999 113.941 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.94 -29.28 43.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 104.975 -2.231 . . . . 1.71 104.975 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.96 -40.59 78.81 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.653 -1.98 . . . . 2.3199999999999998 105.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -67.05 -28.39 68.16 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.957 -1.02 . . . . 2.6099999999999999 109.262 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.08 14.77 11.53 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.264 -0.974 . . . . 2.4500000000000002 109.317 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.23 18.97 0.66 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 123.952 0.782 . . . . 2.4500000000000002 111.856 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 85.29 7.06 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 104.486 -2.413 . . . . 1.04 104.486 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' B' ' 33' ' ' GLU . 9.0 p-10 -69.09 -43.91 73.57 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 124.179 0.925 . . . . 2.8300000000000001 111.355 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 27.2 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.163 -1.415 . . . . 2.1499999999999999 107.374 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.62 -34.04 68.87 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 117.581 -1.648 . . . . 2.52 109.076 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -58.1 6.75 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.912 -1.515 . . . . 0.69999999999999996 112.37 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.71 -58.36 8.89 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.79 -1.564 . . . . 1.6699999999999999 111.381 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 mt -53.03 -33.39 19.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.346 -1.342 . . . . 1.74 110.074 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.62 -50.08 75.26 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.636 -2.026 . . . . 1.1200000000000001 106.72 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.71 -13.93 60.67 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 116.63 -2.028 . . . . 2.8199999999999998 112.009 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.9 m -70.37 -32.11 69.65 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 102.089 -3.3 . . . . 0.83999999999999997 102.089 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -34.82 64.7 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 105.059 -2.201 . . . . 1.5900000000000001 105.059 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.498 ' CD2' ' HG3' ' B' ' 16' ' ' ARG . 3.4 t-160 -53.21 -57.74 9.46 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.015 -1.074 . . . . 1.75 109.616 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.52 -53.86 51.11 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.246 -1.382 . . . . 1.8600000000000001 114.281 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -61.56 -35.73 78.61 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.107 -1.837 . . . . 2.8999999999999999 110.774 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.515 ' HB3' ' CZ ' ' B' ' 16' ' ' ARG . . . -70.67 -19.06 62.82 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.226 -1.39 . . . . 0.77000000000000002 107.581 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -90.27 -20.39 23.01 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.452 -1.684 . . . . 1.45 106.452 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.87 -48.75 77.65 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 104.508 -2.404 . . . . 2.02 104.508 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -52.06 -26.72 11.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 125.448 1.717 . . . . 2.2000000000000002 108.665 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.426 ' CD2' ' NH1' ' B' ' 13' ' ' ARG . 90.5 t80 -85.59 -77.66 0.29 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.267 -1.373 . . . . 2.2599999999999998 109.963 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -31.38 -90.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 121.018 3.711 . . . . 2.8399999999999999 121.018 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -51.03 -41.83 60.06 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.003 0.906 . . . . 2.3999999999999999 110.928 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 63.4 m -69.38 -29.61 67.41 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 117.08 -1.848 . . . . 2.75 110.223 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.72 -30.73 71.44 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 115.772 -2.371 . . . . 1.9199999999999999 106.519 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.89 -45.95 1.92 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 125.91 2.006 . . . . 2.1099999999999999 111.296 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -118.59 -58.08 2.0 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 123.287 1.517 . . . . 4.0099999999999998 108.156 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.548 ' CD1' ' HB2' ' B' ' 5' ' ' GLU . 91.6 t80 143.47 81.72 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 1 N-CA-C 96.475 -5.38 . . . . 3.1099999999999999 96.475 -179.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.7 -66.93 0.51 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 107.884 -2.086 . . . . 4.8499999999999996 107.884 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.64 155.24 38.45 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.796 -1.557 . . . . 7.1900000000000004 106.796 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -104.16 -110.88 0.25 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.569 -1.641 . . . . 8.6199999999999992 106.569 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.58 145.31 24.99 Favored Glycine 0 C--N 1.3 -1.429 0 N-CA-C 105.474 -3.05 . . . . 9.7400000000000002 105.474 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -19.29 82.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 126.476 1.927 . . . . 10.960000000000001 114.793 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' B' ' 63' ' ' LEU . 0.8 OUTLIER -119.1 153.29 35.04 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 103.569 -2.752 . . . . 13.06 103.569 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.425 HD22 ' N ' ' B' ' 63' ' ' LEU . 2.1 pt? . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 114.362 -2.732 . . . . 13.130000000000001 105.212 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tmm? . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 104.388 -2.449 . . . . 5.6600000000000001 104.388 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.36 -151.63 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 112.826 -1.988 . . . . 4.4500000000000002 109.764 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -89.95 -32.06 16.98 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.384 -0.926 . . . . 5.4500000000000002 109.936 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 2.3 mp0 -54.47 -57.82 9.87 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 120.132 -0.627 . . . . 4.7599999999999998 110.592 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -55.17 -40.81 71.09 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.577 -1.192 . . . . 2.5299999999999998 108.02 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.29 -33.2 72.01 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 117.125 -1.83 . . . . 4.3700000000000001 108.4 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 m -65.44 -35.6 81.4 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 106.029 -1.841 . . . . 2.0499999999999998 106.029 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.55 72.81 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 117.371 -1.732 . . . . 1.02 107.159 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.73 -23.61 66.13 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.154 -1.425 . . . . 2.8900000000000001 107.154 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.21 -30.2 71.39 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 117.552 -1.659 . . . . 2.6400000000000001 108.175 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.405 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 52.1 ttm -63.98 -45.85 87.23 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.041 -1.837 . . . . 2.9100000000000001 106.041 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.53 73.14 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.639 -1.164 . . . . 0.88 108.498 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.58 -38.15 86.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.86 -1.136 . . . . 3.8199999999999998 107.974 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 13.2 m-85 -64.84 -36.66 85.05 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.265 -1.374 . . . . 3.4900000000000002 109.958 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.37 -48.89 85.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 106.93 -1.507 . . . . 1.1399999999999999 106.93 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 46' ' ' ASP . 9.1 tmm_? -62.79 -37.55 87.15 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.944 -1.48 . . . . 3.21 110.047 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -64.69 -33.57 76.26 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.493 -1.683 . . . . 0.81999999999999995 107.46 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -64.07 -35.15 79.79 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.151 -1.796 . . . . 1.8 106.151 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -59.2 -27.06 65.37 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.729 -1.588 . . . . 0.59999999999999998 109.05 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.76 -45.04 94.56 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.672 -1.973 . . . . 1.96 105.672 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -58.89 -30.38 67.73 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.875 -1.057 . . . . 1.2 109.757 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.52 -34.24 73.98 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 117.09 -1.844 . . . . 2.4199999999999999 107.735 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.07 97.79 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 117.643 -1.623 . . . . 1.49 107.027 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -52.14 -68.1 0.2 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.964 1.415 . . . . 1.8899999999999999 110.114 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -54.44 -49.15 70.7 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.846 -1.525 . . . . 2.1299999999999999 113.189 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.01 -34.93 74.02 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 117.402 -1.719 . . . . 1.71 109.098 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 118.695 -1.202 . . . . 2.3199999999999998 109.264 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -71.07 -25.0 62.44 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.545 -0.909 . . . . 2.6099999999999999 108.545 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mp -90.01 15.07 10.71 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.956 -1.02 . . . . 2.4500000000000002 109.124 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t0 48.3 32.82 3.37 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.994 1.434 . . . . 2.4500000000000002 108.44 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 63.5 3.93 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 104.812 -2.292 . . . . 1.04 104.812 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -44.05 -58.05 3.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 125.607 1.817 . . . . 2.8300000000000001 112.033 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -52.9 -54.15 38.92 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.264 -1.374 . . . . 2.1499999999999999 111.658 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -66.1 -19.03 65.71 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 116.33 -2.148 . . . . 2.52 110.081 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.06 65.72 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.638 -1.986 . . . . 0.69999999999999996 105.638 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.78 -51.79 67.57 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.456 1.122 . . . . 1.6699999999999999 109.456 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.7 mm -57.13 -33.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 113.701 -1.591 . . . . 1.74 107.11 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.68 -32.05 69.16 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 117.759 -1.576 . . . . 1.1200000000000001 109.374 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.66 -58.77 4.92 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.06 -1.83 . . . . 2.8199999999999998 106.06 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -53.39 -32.92 51.74 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 113.687 -1.597 . . . . 0.83999999999999997 110.829 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.67 -36.76 62.8 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.227 -0.989 . . . . 1.5900000000000001 108.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.51 -47.63 84.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.238 -1.801 . . . . 1.75 107.846 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.79 -55.17 28.87 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.828 -1.078 . . . . 1.8600000000000001 110.158 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -53.07 -41.46 64.9 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 114.312 -1.313 . . . . 2.8999999999999999 111.457 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.425 -1.31 . . . . 0.77000000000000002 108.057 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 29.4 t0 -79.82 -22.78 42.62 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.192 -1.403 . . . . 1.45 107.771 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -69.25 -31.14 69.48 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 116.931 -1.908 . . . . 2.02 107.95 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.53 -31.86 68.33 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.046 -1.835 . . . . 2.2000000000000002 106.046 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.494 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 91.3 t80 -85.63 -94.39 0.08 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 103.311 -2.848 . . . . 2.2599999999999998 103.311 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -2.7 -100.38 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 1 N-CA-C 122.57 4.285 . . . . 2.8399999999999999 122.57 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -53.43 -33.24 53.28 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.447 -1.301 . . . . 2.3999999999999999 110.706 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.7 m -74.92 -33.15 61.95 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 116.188 -2.205 . . . . 2.75 107.613 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' CZ ' ' A' ' 49' ' ' TYR . 53.5 tp -54.28 -32.96 57.61 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.001 -1.481 . . . . 1.9199999999999999 107.001 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.94 -70.35 0.11 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 126.595 2.434 . . . . 2.1099999999999999 110.994 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -82.64 -54.25 5.29 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 105.285 -2.117 . . . . 4.0099999999999998 105.285 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 86.6 t80 134.15 86.88 0.0 OUTLIER 'General case' 0 C--N 1.29 -2.007 1 N-CA-C 99.912 -4.107 . . . . 3.1099999999999999 99.912 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.22 3.52 38.51 Favored Glycine 0 C--N 1.29 -1.99 0 C-N-CA 117.436 -2.316 . . . . 4.8499999999999996 108.042 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 t70 61.98 -147.57 0.39 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 102.476 -3.157 . . . . 7.1900000000000004 102.476 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.597 ' CG ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER 50.69 -165.08 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 125.469 1.731 . . . . 8.6199999999999992 109.988 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.597 ' N ' ' CG ' ' A' ' 59' ' ' ASP . . . -125.28 -49.07 0.2 Allowed Glycine 0 N--CA 1.48 1.591 0 C-N-CA 119.775 -1.202 . . . . 9.7400000000000002 112.066 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -94.8 10.26 35.9 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 116.308 1.966 . . . . 10.960000000000001 116.308 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.476 ' CG ' ' H ' ' A' ' 63' ' ' LEU . 59.4 t30 -77.72 -174.38 3.43 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 105.733 -1.951 . . . . 13.06 105.733 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 2.5 mm? . . . . . 0 C--N 1.301 -1.538 0 CA-C-O 114.274 -2.774 . . . . 13.130000000000001 107.197 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 102.618 -3.104 . . . . 5.6600000000000001 102.618 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -160.91 0.15 Allowed 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 112.034 -2.348 . . . . 4.4500000000000002 104.727 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -90.04 -33.34 16.36 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 118.523 -1.271 . . . . 5.4500000000000002 110.111 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -53.03 -48.98 67.17 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 118.769 -1.172 . . . . 4.7599999999999998 112.732 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' CZ ' ' B' ' 56' ' ' PHE . 4.6 mp0 -63.62 -33.85 76.54 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.583 -1.266 . . . . 2.5299999999999998 107.583 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.47 -29.76 69.95 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 116.627 -2.029 . . . . 4.3700000000000001 107.963 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -69.83 -30.69 68.25 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.97 -1.863 . . . . 2.0499999999999998 105.97 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.53 78.46 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 103.885 -2.635 . . . . 1.02 103.885 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.91 -28.84 65.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.599 -1.63 . . . . 2.8900000000000001 106.599 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.18 -22.06 65.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.687 -1.605 . . . . 2.6400000000000001 108.929 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.99 -38.97 83.31 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 105.599 -2.001 . . . . 2.9100000000000001 105.599 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.59 74.25 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.499 -1.667 . . . . 0.88 106.499 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -64.42 -40.63 96.15 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.124 -1.831 . . . . 3.8199999999999998 106.59 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -60.84 -38.01 84.04 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.454 -1.699 . . . . 3.4900000000000002 108.855 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.59 -45.5 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 106.252 -1.758 . . . . 1.1399999999999999 106.252 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.568 HH21 ' CD2' ' B' ' 42' ' ' HIS . 22.3 ttt180 -58.85 -39.57 81.7 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.164 -1.415 . . . . 3.21 109.172 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.8 m -60.94 -44.97 96.49 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.01 -1.076 . . . . 0.81999999999999995 110.637 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.27 -42.92 99.17 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 117.335 -1.746 . . . . 1.8 107.504 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 45.3 m -56.35 -32.36 64.63 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.783 -1.099 . . . . 0.59999999999999998 109.327 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.39 -46.03 81.66 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 117.627 -1.629 . . . . 1.96 107.323 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -54.28 -43.16 70.78 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.455 -1.248 . . . . 1.2 108.696 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.86 -28.45 62.53 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.175 -1.41 . . . . 2.4199999999999999 109.813 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.65 -54.07 49.74 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.193 -1.41 . . . . 1.49 107.193 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.77 -58.49 7.27 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 112.978 -1.919 . . . . 1.8899999999999999 111.303 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -58.59 -36.35 73.86 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 117.149 -1.82 . . . . 2.1299999999999999 113.144 -178.176 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.49 -34.82 79.16 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 116.637 -2.025 . . . . 1.71 105.837 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.02 -39.92 91.61 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.562 -1.199 . . . . 2.3199999999999998 108.329 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -66.08 -26.78 67.64 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 118.886 -1.126 . . . . 2.6099999999999999 109.504 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.98 22.48 3.18 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.762 -1.175 . . . . 2.4500000000000002 108.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 52.08 21.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.82 1.325 . . . . 2.4500000000000002 108.576 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.12 57.53 1.27 Allowed 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.109 -1.811 . . . . 1.04 106.109 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.24 -22.7 65.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.093 -1.412 . . . . 2.8300000000000001 111.918 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -30.13 61.51 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 116.338 -2.145 . . . . 2.1499999999999999 106.903 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -76.63 -28.47 56.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 103.767 -2.679 . . . . 2.52 103.767 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.96 71.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.898 -1.889 . . . . 0.69999999999999996 105.898 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.53 -58.5 7.35 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.768 -1.173 . . . . 1.6699999999999999 109.543 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.95 -33.33 49.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 CA-C-N 114.061 -1.427 . . . . 1.74 107.777 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.84 -26.23 63.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.576 -1.25 . . . . 1.1200000000000001 109.744 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.61 -49.89 17.16 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 103.128 -2.915 . . . . 2.8199999999999998 103.128 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -52.24 -31.54 32.77 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.742 -1.117 . . . . 0.83999999999999997 108.704 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.82 -43.97 43.39 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.373 -2.084 . . . . 1.5900000000000001 105.373 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.568 ' CD2' HH21 ' B' ' 16' ' ' ARG . 51.4 t60 -48.67 -54.44 14.74 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.761 -1.563 . . . . 1.75 109.816 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.69 -19.7 22.37 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 116.291 -2.163 . . . . 1.8600000000000001 113.264 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -48.16 79.05 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.365 -2.134 . . . . 2.8999999999999999 105.547 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.29 71.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.504 -1.665 . . . . 0.77000000000000002 106.504 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 29.5 t70 -70.77 -28.22 64.52 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 117.334 -1.747 . . . . 1.45 110.438 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -64.82 -41.78 95.5 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 103.991 -2.596 . . . . 2.02 103.991 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.38 -24.73 67.3 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.14 -1.391 . . . . 2.2000000000000002 107.446 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.405 ' CZ ' HD21 ' B' ' 53' ' ' LEU . 54.0 t80 -91.09 -92.25 0.14 Allowed 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.446 -1.302 . . . . 2.2599999999999998 107.779 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -27.94 -75.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 117.002 2.223 . . . . 2.8399999999999999 117.002 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -47.29 -55.66 8.29 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.455 1.121 . . . . 2.3999999999999999 110.043 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 96.5 m -65.42 -27.79 68.79 Favored 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 119.06 -1.056 . . . . 2.75 110.145 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.405 HD21 ' CZ ' ' B' ' 49' ' ' TYR . 18.6 tp -61.75 -27.65 68.88 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 107.153 -1.425 . . . . 1.9199999999999999 107.153 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.94 -68.74 0.16 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 126.331 2.269 . . . . 2.1099999999999999 110.474 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.57 HH22 ' N ' ' B' ' 60' ' ' GLY . 13.5 ttm105 -93.4 -56.71 2.83 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.067 -1.878 . . . . 4.0099999999999998 107.195 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' B' ' 5' ' ' GLU . 35.2 t80 141.91 89.01 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 109.115 -3.675 . . . . 3.1099999999999999 101.638 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.87 -79.73 1.24 Allowed Glycine 0 N--CA 1.486 2.006 0 C-N-CA 116.93 -2.557 . . . . 4.8499999999999996 107.66 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -57.16 133.65 55.21 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.299 -1.741 . . . . 7.1900000000000004 106.299 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . 0.403 ' C ' HH22 ' B' ' 55' ' ' ARG . 27.5 t0 -116.19 156.43 26.53 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.611 -1.996 . . . . 8.6199999999999992 105.611 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . 0.57 ' N ' HH22 ' B' ' 55' ' ' ARG . . . -171.79 -46.47 0.04 OUTLIER Glycine 0 C--N 1.294 -1.799 1 N-CA-C 100.515 -5.034 . . . . 9.7400000000000002 100.515 -178.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -88.74 63.89 7.08 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 100.738 -3.801 . . . . 10.960000000000001 100.738 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -58.57 139.92 55.06 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.018 -1.447 . . . . 13.06 110.272 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--N 1.301 -1.535 0 N-CA-C 101.391 -3.559 . . . . 13.130000000000001 101.391 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 1.2 pm0 . . . . . 0 C--O 1.217 -0.649 0 N-CA-C 107.966 -1.124 . . . . 2.53 107.966 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -76.54 -27.39 55.93 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.824 -1.551 . . . . 3.78 108.565 -179.557 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.9 m -61.82 -48.16 81.85 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 117.12 -1.832 . . . . 1.82 108.17 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.0 99.4 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 118.049 -1.461 . . . . 0.87 108.01 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.834 -1.53 . . . . 2.37 108.761 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -78.07 -33.05 51.01 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.097 -1.041 . . . . 2.15 108.529 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.2 mmm -65.42 -49.6 68.6 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.706 -1.598 . . . . 2.42 109.535 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.02 97.8 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 117.754 -1.579 . . . . 0.67 109.097 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 31.2 ttp180 -64.52 -32.67 74.41 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.455 -1.298 . . . . 3.15 108.765 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.37 -43.44 70.13 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 118.796 -1.161 . . . . 2.71 110.391 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.4 mt -60.72 -36.76 73.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 C-N-CA 117.406 -1.718 . . . . 0.93 108.335 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.89 -45.18 90.88 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 116.909 -1.916 . . . . 2.68 106.597 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -59.17 -43.31 92.11 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 118.725 -1.19 . . . . 0.72 110.327 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -61.15 -39.52 90.4 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 117.457 -1.697 . . . . 1.8 108.327 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -65.34 -30.71 71.58 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.636 -1.226 . . . . 0.56 109.313 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.1 -58.05 5.1 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.986 -2.227 . . . . 1.31 104.986 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -59.38 -20.9 58.44 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.849 -1.14 . . . . 1.02 109.956 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -73.61 -44.71 56.38 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.372 -2.085 . . . . 1.71 105.372 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.7 -49.81 46.3 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.965 -1.865 . . . . 1.08 105.965 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.4 -65.52 0.54 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.402 -1.272 . . . . 1.84 112.175 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HG2' ' HZ2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -53.67 -35.01 60.6 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.19 -1.368 . . . . 1.86 111.824 -177.543 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.48 -39.74 85.24 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.812 -1.555 . . . . 1.22 107.765 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.19 -28.52 69.44 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.344 -1.743 . . . . 1.7 108.704 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -63.55 -40.55 97.3 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 117.775 -1.57 . . . . 2.61 107.53 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.01 32.98 0.88 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 114.721 -1.127 . . . . 1.79 111.5 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 38.85 37.96 0.24 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 124.941 1.401 . . . . 2.45 110.461 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.2 63.81 5.1 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.047 -1.094 . . . . 0.89 108.047 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.4 p-10 -50.5 -44.9 56.15 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 125.654 1.846 . . . . 2.83 107.749 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 8.2 tt0 -52.77 -68.46 0.17 Allowed 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 112.027 -2.351 . . . . 2.15 109.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' B' ' 52' ' ' CYS . 55.7 mt-30 -58.11 -23.22 54.14 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 113.07 -1.877 . . . . 2.26 109.693 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.22 70.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.738 -1.585 . . . . 0.65 108.21 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.25 -54.63 43.53 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.086 -1.846 . . . . 1.67 108.828 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -54.24 -33.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 112.335 -2.211 . . . . 1.12 108.536 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 t -69.41 -38.19 77.81 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.337 -1.345 . . . . 0.7 110.163 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.13 -35.33 76.27 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 117.247 -1.781 . . . . 2.82 107.867 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -64.65 -32.68 74.45 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 117.444 -1.703 . . . . 0.77 106.698 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.47 -32.9 64.58 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.623 -1.251 . . . . 1.22 107.623 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.75 -49.64 76.7 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.777 -1.556 . . . . 1.21 107.349 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.8 -51.02 69.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.659 -1.216 . . . . 1.86 109.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -22.69 66.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 117.99 -1.484 . . . . 2.24 110.981 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.22 -33.5 69.94 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 102.591 -3.114 . . . . 0.7 102.591 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HB3' HH21 ' A' ' 50' ' ' ARG . 23.8 t0 -75.91 -33.18 59.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.28 -1.768 . . . . 1.45 106.985 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' N ' HH21 ' A' ' 50' ' ' ARG . 69.1 mm-40 -54.83 -38.53 67.53 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 117.488 -1.685 . . . . 2.02 106.743 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -48.36 66.0 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 117.064 -1.855 . . . . 1.52 107.604 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 85.7 t80 -58.01 -61.41 2.56 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.579 1.326 . . . . 1.4 114.579 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.425 HH21 ' N ' ' A' ' 47' ' ' GLU . 6.3 ptp180 -51.35 -39.94 58.1 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.966 -0.753 . . . . 2.29 108.966 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.6 m -69.96 -31.93 69.91 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.667 -1.613 . . . . 2.11 108.794 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 70.9 m -68.71 -22.7 64.33 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.368 -2.086 . . . . 2.41 105.368 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.4 -23.57 27.89 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 105.454 -2.054 . . . . 1.58 105.454 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.582 0 C-N-CA 117.237 -1.785 . . . . 2.0 107.231 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 105.801 -1.926 . . . . 2.53 105.801 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -39.28 82.39 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.009 -1.45 . . . . 3.78 110.944 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -69.08 -40.98 78.13 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 117.314 -1.754 . . . . 1.82 109.112 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' HE3' ' B' ' 11' ' ' MET . . . -60.43 -50.79 72.18 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 118.989 -1.084 . . . . 0.87 109.107 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.48 -48.44 71.8 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 112.765 -2.016 . . . . 2.37 108.335 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -62.66 -32.81 73.93 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 113.864 -1.517 . . . . 2.15 112.853 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' MET . . . . . 0.405 ' HE3' ' HA ' ' B' ' 8' ' ' ALA . 77.5 mtm -72.1 -34.15 68.4 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 116.23 -2.188 . . . . 2.42 108.496 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.46 48.59 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 117.426 -1.71 . . . . 0.67 106.954 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -57.92 -30.99 66.38 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.877 -1.965 . . . . 3.15 108.022 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.65 -53.01 38.57 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 118.105 -1.438 . . . . 2.71 109.951 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.77 -32.38 46.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 118.441 -1.303 . . . . 0.93 109.699 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' B' ' 42' ' ' HIS . 57.1 ttt85 -60.96 -59.31 5.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 116.285 -2.166 . . . . 2.68 108.854 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.4 m -59.17 -40.97 87.31 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.147 -0.933 . . . . 0.72 111.948 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -55.29 -57.79 10.38 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.93 -1.137 . . . . 1.8 107.93 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -58.7 -28.27 65.63 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.067 -1.424 . . . . 0.56 110.376 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.46 -55.34 28.57 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.021 -2.214 . . . . 1.31 105.021 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.8 m -57.6 -25.19 59.7 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.18 -1.373 . . . . 1.02 110.192 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' B' ' 26' ' ' LEU . 87.8 mt -80.9 -30.23 35.46 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 116.366 -2.134 . . . . 1.71 108.763 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.424 ' C ' HD23 ' B' ' 23' ' ' LEU . 7.9 tt -62.11 -57.38 11.79 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.344 -1.743 . . . . 1.08 107.235 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.16 -61.1 2.89 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 117.828 -1.549 . . . . 1.84 112.51 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' B' ' 24' ' ' GLU . 13.0 mmtm -56.02 -37.03 68.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.853 -1.139 . . . . 1.86 114.069 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 22' ' ' LEU . 9.9 mp -73.03 -29.83 63.3 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 116.011 -2.276 . . . . 1.22 107.676 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.32 -46.07 90.37 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.787 -1.931 . . . . 1.7 105.787 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.419 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 45.5 mt-10 -66.22 -27.78 68.24 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 113.197 -1.819 . . . . 2.61 110.026 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 25.5 tp -89.91 20.02 4.46 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.293 -1.373 . . . . 1.79 107.293 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 18.9 t0 51.64 74.57 0.25 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.683 -1.228 . . . . 2.45 107.683 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.28 51.66 0.25 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 101.934 -3.358 . . . . 0.89 101.934 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.25 -35.14 74.81 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 112.821 -1.991 . . . . 2.83 110.87 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' B' ' 33' ' ' GLU . 1.9 mp0 -58.02 -45.26 87.19 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.47 -1.678 . . . . 2.15 106.47 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.425 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mp0 -65.22 -32.65 74.43 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.463 -2.095 . . . . 2.26 108.21 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.44 96.42 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.447 -1.301 . . . . 0.65 109.265 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -57.2 -57.82 10.94 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.544 1.164 . . . . 1.67 109.131 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.16 -30.28 45.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 113.26 -1.791 . . . . 1.12 109.275 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 87.8 m -67.37 -28.45 67.95 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.665 -1.614 . . . . 0.7 108.191 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 24.2 tt0 -72.01 -40.9 68.15 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.901 -1.52 . . . . 2.82 108.014 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -36.15 77.0 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 116.446 -2.102 . . . . 0.77 108.879 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.71 -33.43 72.49 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.957 -1.474 . . . . 1.22 108.039 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.467 ' HD2' ' O ' ' B' ' 16' ' ' ARG . 20.5 t-80 -53.23 -59.0 5.13 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.102 -1.863 . . . . 1.21 109.355 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.407 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 28.7 t70 -80.7 -23.42 39.54 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 116.128 -2.229 . . . . 1.86 112.083 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.77 -30.94 71.28 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 116.237 -2.185 . . . . 2.24 105.849 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.51 81.22 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 104.962 -2.236 . . . . 0.7 104.962 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 37.2 t70 -65.41 -23.22 66.9 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.176 -1.829 . . . . 1.45 108.706 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -58.3 -34.0 70.08 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 117.364 -1.734 . . . . 2.02 108.301 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 48' ' ' LEU . 3.6 mm? -69.85 -36.12 75.29 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.052 -1.859 . . . . 1.52 107.347 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -51.63 66.92 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 106.63 -1.619 . . . . 1.4 106.63 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -53.79 -57.32 11.33 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.293 -0.563 . . . . 2.29 110.494 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -59.28 -31.72 69.37 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.434 -0.907 . . . . 2.11 111.04 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.407 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 96.5 m -74.74 -28.9 60.96 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.711 -1.596 . . . . 2.41 108.108 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 tp -75.6 -23.19 56.43 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 105.371 -2.085 . . . . 1.58 105.371 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.84 -62.82 1.57 Allowed 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.705 -1.598 . . . . 2.0 109.713 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 34' ' ' GLN . 7.6 tpp85 -58.42 -42.19 86.7 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.587 -1.188 . . . . 3.65 111.39 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.302 -1.467 0 C-N-CA 118.493 -1.283 . . . . 3.11 113.073 -177.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 106.8 -1.556 . . . . 2.53 106.8 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -69.7 -20.54 63.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.987 -1.085 . . . . 3.78 109.98 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.7 m -72.57 -46.86 52.29 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 104.268 -2.493 . . . . 1.82 104.268 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.07 79.17 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.308 -0.957 . . . . 0.87 109.091 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -58.13 -51.1 71.13 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.111 -1.811 . . . . 2.37 106.111 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -61.16 -35.49 77.24 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 113.683 -1.599 . . . . 2.15 111.552 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 33.8 mtm -63.77 -42.02 97.86 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 117.316 -1.754 . . . . 2.42 109.261 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.41 88.46 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.282 -1.367 . . . . 0.67 108.879 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.619 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -63.95 -38.99 93.11 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.314 -1.755 . . . . 3.15 108.901 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.59 -32.74 74.3 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.901 -1.919 . . . . 2.71 109.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -61.38 -43.62 97.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.492 -2.04 . . . . 0.93 105.492 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 19.6 ttt180 -60.54 -40.83 92.95 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 117.673 -1.611 . . . . 2.68 109.352 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 m -59.28 -48.95 79.72 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.083 -1.047 . . . . 0.72 110.438 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.96 -44.43 94.43 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.954 -1.098 . . . . 1.8 108.742 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -58.26 -29.48 65.83 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.449 -1.301 . . . . 0.56 109.804 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -46.56 82.9 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.043 -2.206 . . . . 1.31 105.043 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -59.15 -37.1 76.49 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.142 -1.423 . . . . 1.02 108.703 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.88 -28.31 65.54 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.292 -1.763 . . . . 1.71 109.092 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.17 -48.28 82.21 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.688 -2.338 . . . . 1.08 104.688 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -65.1 0.74 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 112.994 -1.912 . . . . 1.84 111.111 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HZ2' ' N ' ' A' ' 25' ' ' LYS . 7.0 mmtm -48.5 -48.8 37.86 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.093 -0.958 . . . . 1.86 112.978 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -60.11 -37.95 81.54 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 117.311 -1.755 . . . . 1.22 107.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -62.02 -40.87 97.19 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.025 -1.07 . . . . 1.7 109.4 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 30' ' ' ASP . 94.4 mt-10 -61.52 -36.55 80.85 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.859 0.838 . . . . 2.61 108.9 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' ALA . 21.5 mt -87.91 31.46 0.78 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.87 -1.514 . . . . 1.79 107.627 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 28' ' ' GLU . 4.0 p-10 41.56 14.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 126.514 2.384 . . . . 2.45 112.129 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' LEU . . . -88.54 56.23 3.7 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 104.284 -2.487 . . . . 0.89 104.284 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.83 -31.83 71.94 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.752 -1.179 . . . . 2.83 110.386 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 115.5 -2.48 . . . . 2.15 105.78 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.455 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 98.8 mm-40 -72.95 -29.01 62.76 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 116.552 -2.059 . . . . 2.26 105.638 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.5 71.42 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.108 -1.812 . . . . 0.65 106.108 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.82 -50.63 71.52 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.884 -1.526 . . . . 1.67 107.41 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.88 -33.23 45.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 113.82 -1.536 . . . . 1.12 107.03 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.9 t -73.23 -27.16 61.45 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.457 -1.297 . . . . 0.7 110.598 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -76.02 -40.67 53.03 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.589 -2.375 . . . . 2.82 104.589 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.8 m -59.28 -32.72 70.28 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.571 -2.011 . . . . 0.77 105.571 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -73.82 -35.34 64.85 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.922 -1.51 . . . . 1.22 106.922 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 36.8 t60 -57.44 -58.87 6.39 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.009 -1.45 . . . . 1.21 110.145 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.41 -25.16 39.17 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 116.412 -2.115 . . . . 1.86 112.18 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.86 -35.28 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.754 -2.313 . . . . 2.24 104.754 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.1 80.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.347 -2.094 . . . . 0.7 105.347 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 7.0 t70 -69.41 -22.06 63.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.02 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CD ' ' NH2' ' A' ' 50' ' ' ARG . 18.4 mm-40 -63.62 -42.43 98.18 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 105.05 -2.204 . . . . 2.02 105.05 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.84 -40.97 90.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 105.745 -1.946 . . . . 1.52 105.745 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.619 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 30.4 t80 -61.08 -40.18 92.71 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.468 -0.893 . . . . 1.4 110.993 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' NH2' ' CD ' ' A' ' 47' ' ' GLU . 43.4 mtm-85 -68.08 -61.32 1.91 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.706 -0.797 . . . . 2.29 110.135 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 m -54.28 -33.44 58.65 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 114.621 -1.172 . . . . 2.11 109.753 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.1 m -66.29 -49.52 66.8 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 117.202 -1.799 . . . . 2.41 107.911 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.11 -40.88 33.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 118.905 -1.118 . . . . 1.58 110.401 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 C-N-CA 118.824 -1.15 . . . . 2.0 110.687 -179.548 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.035 0.445 . . . . 2.53 110.923 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -74.42 -21.46 59.61 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.384 -1.726 . . . . 3.78 107.497 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 m -66.53 -61.97 1.71 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 117.473 -1.691 . . . . 1.82 106.892 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.89 -39.25 53.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.495 -0.775 . . . . 0.87 109.791 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' CE1' ' B' ' 49' ' ' TYR . 33.3 tp -57.84 -57.35 13.17 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.666 -1.214 . . . . 2.37 108.811 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -61.77 -25.91 67.76 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.594 -1.243 . . . . 2.15 110.666 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 89.3 mmm -71.11 -38.04 72.36 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.745 -1.582 . . . . 2.42 108.942 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.7 87.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.586 -1.635 . . . . 0.67 106.586 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -58.31 -41.42 84.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.584 -1.644 . . . . 3.15 109.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -61.05 -48.68 80.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.236 -1.386 . . . . 2.71 110.163 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.9 mt -56.38 -37.69 52.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.926 -1.034 . . . . 0.93 108.996 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' B' ' 46' ' ' ASP . 34.5 ttt180 -58.38 -51.07 71.38 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 116.861 -1.935 . . . . 2.68 107.924 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -51.16 -44.12 61.4 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.989 -1.005 . . . . 0.72 110.565 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.28 -50.09 74.84 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.284 -1.367 . . . . 1.8 109.208 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -54.49 -31.08 55.24 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 113.925 -1.488 . . . . 0.56 110.182 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.37 -54.79 27.31 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.731 -1.952 . . . . 1.31 105.731 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -50.1 -37.18 32.69 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.564 -1.653 . . . . 1.02 110.454 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.72 -41.28 60.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 116.817 -1.953 . . . . 1.71 109.892 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.44 -50.92 58.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.622 -1.621 . . . . 1.08 106.622 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.48 -59.42 4.61 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.033 -1.894 . . . . 1.84 107.719 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HE2' ' N ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.81 -18.82 46.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.654 -1.219 . . . . 1.86 112.552 -178.536 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 mt -78.4 -34.43 48.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.949 -1.871 . . . . 1.22 105.949 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -64.1 -41.06 97.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.056 -1.831 . . . . 1.7 106.056 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.442 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 93.0 mt-10 -63.2 -44.21 95.99 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.481 -1.236 . . . . 2.61 109.91 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' ALA . 87.6 mt -89.97 42.44 1.09 Allowed 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.518 -0.873 . . . . 1.79 109.378 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 34.63 16.62 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 127.454 2.971 . . . . 2.45 115.59 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.62 58.11 3.43 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 104.936 -2.246 . . . . 0.89 104.936 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.96 -35.79 81.83 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 118.534 -1.266 . . . . 2.83 110.701 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 0.5 OUTLIER -62.49 -33.91 75.8 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 116.214 -2.194 . . . . 2.15 106.765 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -76.17 -23.4 54.74 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 116.698 -2.001 . . . . 2.26 107.466 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.71 87.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 105.704 -1.961 . . . . 0.65 105.704 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.85 -56.47 20.85 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.601 1.191 . . . . 1.67 108.448 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.3 -30.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.995 -1.911 . . . . 1.12 108.139 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.05 -36.69 69.67 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.195 -1.402 . . . . 0.7 109.282 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 19.8 tp10 -65.58 -44.46 86.59 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 117.911 -1.516 . . . . 2.82 107.511 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' B' ' 44' ' ' HIS . 16.6 m -51.54 -48.33 63.09 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 117.2 -1.8 . . . . 0.77 107.66 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.12 -37.29 84.56 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.511 -1.276 . . . . 1.22 109.121 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.52 ' CE1' ' HG2' ' B' ' 16' ' ' ARG . 46.4 t60 -55.78 -59.28 5.09 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.101 -1.409 . . . . 1.21 108.437 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' B' ' 16' ' ' ARG . 20.4 t70 -72.03 -27.36 62.66 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 116.957 -1.897 . . . . 1.86 112.271 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' B' ' 40' ' ' SER . 2.9 m-70 -61.62 -33.69 74.36 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.754 -1.978 . . . . 2.24 107.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.51 79.32 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.482 -1.687 . . . . 0.7 106.907 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.546 ' HB2' ' HD2' ' B' ' 16' ' ' ARG . 50.0 t0 -68.44 -29.34 67.97 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 114.553 -1.203 . . . . 1.45 107.929 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.28 -39.0 88.8 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 117.425 -1.71 . . . . 2.02 106.658 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.38 -39.05 91.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 116.856 -1.938 . . . . 1.52 105.987 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.45 ' CE1' ' HG ' ' B' ' 9' ' ' LEU . 27.3 t80 -61.05 -27.23 68.19 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.162 -1.415 . . . . 1.4 108.992 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.414 HH11 ' CG ' ' B' ' 46' ' ' ASP . 20.6 mtm180 -91.16 -75.61 0.47 Allowed 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.488 -0.885 . . . . 2.29 110.233 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -50.07 -39.07 41.11 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.759 -0.776 . . . . 2.11 112.994 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 34' ' ' GLN . 51.2 m -71.54 -32.21 67.89 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 115.689 -2.404 . . . . 2.41 108.573 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -59.68 -34.91 73.48 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 117.13 -1.828 . . . . 1.58 106.166 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.19 83.64 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.119 -1.832 . . . . 2.0 107.959 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -69.77 -9.42 54.5 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.137 -1.025 . . . . 3.65 110.406 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 . . . . . 0 C--N 1.298 -1.666 0 C-N-CA 117.741 -1.584 . . . . 3.11 112.033 -179.166 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.617 0.246 . . . . 2.53 110.587 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -57.86 -43.34 85.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.371 -1.344 . . . . 3.78 107.371 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -66.79 -41.01 88.31 Favored 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 117.827 -1.549 . . . . 1.82 110.195 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.9 -31.87 73.31 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.708 -1.197 . . . . 0.87 108.444 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.544 ' HG ' ' CE2' ' A' ' 49' ' ' TYR . 30.2 tp -66.08 -39.85 90.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.959 -2.237 . . . . 2.37 104.959 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -67.64 -35.3 78.65 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 118.327 -1.349 . . . . 2.15 108.326 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.9 mmm -64.55 -39.06 93.06 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.053 -1.459 . . . . 2.42 109.138 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.26 90.5 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.902 -1.519 . . . . 0.67 107.669 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 18.2 tpp85 -65.65 -25.27 67.28 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 114.156 -1.384 . . . . 3.15 107.608 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.8 -38.24 76.56 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.248 -1.781 . . . . 2.71 107.189 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.0 mm -61.92 -41.61 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 117.814 -1.554 . . . . 0.93 106.852 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 28.3 ttm-85 -55.08 -50.7 68.5 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.2 -1.4 . . . . 2.68 107.98 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -65.91 -27.82 68.47 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.311 -1.313 . . . . 0.72 112.972 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.44 -49.44 59.9 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 102.787 -3.042 . . . . 1.8 102.787 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.416 HG22 ' SG ' ' A' ' 38' ' ' CYS . 31.4 m -56.06 -26.12 47.91 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 113.663 -1.608 . . . . 0.56 109.636 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -73.7 -47.54 38.77 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 117.084 -1.846 . . . . 1.31 107.198 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -56.07 -38.52 70.76 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.903 -1.147 . . . . 1.02 107.903 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -66.05 -48.26 71.63 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 118.306 -1.358 . . . . 1.71 107.623 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -44.71 -49.94 10.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 124.851 1.345 . . . . 1.08 108.505 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.89 -59.67 4.32 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 113.63 -1.623 . . . . 1.84 107.88 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 4.7 mmtm -57.44 -26.1 60.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.583 -1.189 . . . . 1.86 111.936 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.83 -33.65 64.24 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 117.357 -1.737 . . . . 1.22 107.691 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.6 -43.11 81.27 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 117.318 -1.753 . . . . 1.7 107.839 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' CD ' ' HZ2' ' A' ' 25' ' ' LYS . 82.3 mt-10 -61.19 -44.7 96.87 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.567 -1.197 . . . . 2.61 112.337 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.97 29.31 1.22 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.422 -1.311 . . . . 1.79 114.258 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 48.03 70.33 0.45 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.984 1.428 . . . . 2.45 108.419 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.34 52.94 1.34 Allowed 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 104.544 -2.391 . . . . 0.89 104.544 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -61.89 -51.04 69.79 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.107 -1.861 . . . . 2.83 111.786 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.68 -43.82 65.82 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 123.761 1.743 . . . . 2.15 108.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' CD ' ' H ' ' A' ' 34' ' ' GLN . 21.2 mp0 -62.11 -33.65 74.86 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 112.103 -2.317 . . . . 2.26 108.038 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.72 72.24 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.486 -1.286 . . . . 0.65 108.638 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.69 -49.18 62.92 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 118.743 -1.183 . . . . 1.67 110.662 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.03 -35.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 C-N-CA 117.891 -1.524 . . . . 1.12 107.598 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 19' ' ' THR . 34.8 t -65.18 -27.73 68.9 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.555 -1.258 . . . . 0.7 109.538 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' HIS . 7.9 mm-40 -71.75 -40.12 69.57 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.473 -1.677 . . . . 2.82 106.473 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -60.11 -34.18 73.15 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 117.798 -1.561 . . . . 0.77 107.434 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -74.72 -36.1 62.68 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.836 -1.145 . . . . 1.22 108.06 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 47.5 t-80 -53.31 -49.69 66.49 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.341 -1.754 . . . . 1.21 109.844 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 18.6 t70 -87.33 -28.11 22.44 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 117.011 -1.876 . . . . 1.86 112.271 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -70.65 -17.92 62.86 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 116.71 -1.996 . . . . 2.24 106.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.35 62.86 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 104.728 -2.323 . . . . 0.7 104.728 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 7.9 t70 -75.58 -6.57 50.98 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 112.993 -1.912 . . . . 1.45 108.952 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CD ' HH11 ' A' ' 50' ' ' ARG . 5.9 tp10 -65.41 -39.93 92.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 101.793 -3.41 . . . . 2.02 101.793 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 84.9 mt -72.17 5.32 2.86 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 114.521 -1.218 . . . . 1.52 110.247 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE2' ' HG ' ' A' ' 9' ' ' LEU . 43.5 t80 -104.29 -58.71 1.84 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 105.026 -2.213 . . . . 1.4 105.026 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.409 HH11 ' CD ' ' A' ' 47' ' ' GLU . 8.9 ptp180 -65.03 -53.24 48.99 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 2.29 111.175 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -60.18 -39.41 86.39 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.769 -1.172 . . . . 2.11 110.15 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.527 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 87.1 m -69.41 -33.58 73.2 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 116.339 -2.144 . . . . 2.41 108.868 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.55 -27.27 69.05 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.684 -1.599 . . . . 1.58 106.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.611 0 C-N-CA 116.741 -1.983 . . . . 2.0 109.287 179.692 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 109.678 -0.49 . . . . 2.53 109.678 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -38.08 80.28 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.17 -1.412 . . . . 3.78 108.049 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -67.03 -54.73 18.85 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 117.407 -1.717 . . . . 1.82 109.421 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.09 72.09 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.565 -0.854 . . . . 0.87 111.612 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' B' ' 49' ' ' TYR . 56.9 tp -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 105.974 -1.862 . . . . 2.37 105.974 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -67.17 -25.74 66.3 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 112.863 -1.971 . . . . 2.15 110.857 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.6 mmm -71.99 -38.48 69.67 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 117.854 -1.538 . . . . 2.42 109.378 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.5 90.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 105.882 -1.895 . . . . 0.67 105.882 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.447 HH22 ' HA ' ' B' ' 14' ' ' PHE . 9.3 ttp85 -64.72 -25.89 68.13 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.712 -1.586 . . . . 3.15 106.849 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.447 ' HA ' HH22 ' B' ' 13' ' ' ARG . 56.7 t80 -72.54 -33.64 67.0 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.342 -1.743 . . . . 2.71 107.764 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.73 -39.55 85.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 103.94 -2.615 . . . . 0.93 103.94 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.499 HH21 ' CG ' ' B' ' 42' ' ' HIS . 56.9 mtp85 -61.85 -36.22 80.59 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 115.869 -2.332 . . . . 2.68 108.201 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -65.86 -35.52 80.89 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.026 -1.469 . . . . 0.72 109.393 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.0 -59.6 2.82 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.834 -1.147 . . . . 1.8 108.214 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -47.7 -35.07 9.06 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.184 -1.371 . . . . 0.56 111.223 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.14 -53.65 55.24 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.275 -1.75 . . . . 1.31 106.275 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -60.58 -17.31 45.7 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 112.874 -1.966 . . . . 1.02 111.166 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.75 -33.61 16.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.3 -1.36 . . . . 1.71 109.496 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.17 -45.11 91.87 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 105.653 -1.98 . . . . 1.08 105.653 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 7.0 tt0 -43.53 -68.55 0.19 Allowed 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 111.449 -2.614 . . . . 1.84 109.047 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 59.1 mttp -63.08 -57.58 10.16 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 112.497 -2.138 . . . . 1.86 114.866 -177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.18 -38.36 11.74 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.53 -0.868 . . . . 1.22 111.023 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.06 -55.86 29.55 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.585 -1.246 . . . . 1.7 109.58 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.96 -22.89 67.12 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.575 -1.25 . . . . 2.61 110.447 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -86.92 29.47 0.81 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.791 -1.164 . . . . 1.79 109.572 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t70 37.47 49.36 0.97 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 125.775 1.922 . . . . 2.45 108.866 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.32 52.04 1.25 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 100.471 -3.9 . . . . 0.89 100.471 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.89 -34.97 78.51 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.212 -1.813 . . . . 2.83 110.564 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -51.89 67.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.317 -2.475 . . . . 2.15 104.317 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.527 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 26.3 mp0 -66.35 -16.28 63.94 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.764 -1.562 . . . . 2.26 110.239 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.54 -44.86 70.07 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.572 -2.01 . . . . 0.65 105.572 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.98 -56.17 25.15 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.011 -1.477 . . . . 1.67 107.011 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -52.3 -31.77 15.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.654 -2.066 . . . . 1.12 109.228 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 38.2 t -67.79 -44.49 77.24 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 118.293 -1.363 . . . . 0.7 108.493 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 46.3 mt-10 -70.8 -31.57 68.37 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 117.875 -1.53 . . . . 2.82 109.386 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.2 m -68.14 -33.4 74.42 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 117.751 -1.58 . . . . 0.77 107.756 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.47 -40.1 67.23 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.616 -1.994 . . . . 1.22 105.616 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.499 ' CG ' HH21 ' B' ' 16' ' ' ARG . 8.9 t60 -48.51 -59.48 3.46 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 112.583 -2.099 . . . . 1.21 110.12 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.482 ' CG ' HH22 ' B' ' 16' ' ' ARG . 3.4 m-20 -79.83 -17.49 53.15 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 116.666 -2.014 . . . . 1.86 112.385 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.55 -30.74 71.77 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.288 -2.486 . . . . 2.24 104.288 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.11 -28.44 64.32 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.442 -1.303 . . . . 0.7 108.403 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' HB2' ' NH1' ' B' ' 16' ' ' ARG . 19.5 t70 -64.13 -33.76 76.5 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.372 -1.286 . . . . 1.45 109.076 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -54.19 -46.44 72.39 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 118.815 -1.154 . . . . 2.02 108.669 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.431 HD12 ' N ' ' B' ' 48' ' ' LEU . 6.9 mp -57.23 -44.58 83.92 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.172 -1.411 . . . . 1.52 108.177 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' B' ' 13' ' ' ARG . 24.8 t80 -56.65 -49.87 73.75 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 124.871 1.357 . . . . 1.4 110.908 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' B' ' 50' ' ' ARG . 8.1 mmp_? -58.81 -51.27 70.72 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.574 -1.25 . . . . 2.29 108.142 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -59.34 -26.68 65.25 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.178 -1.374 . . . . 2.11 110.173 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 92.2 m -76.52 -27.66 56.08 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 117.85 -1.54 . . . . 2.41 107.553 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.4 -36.44 81.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 105.314 -2.106 . . . . 1.58 105.314 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.42 5.81 0.71 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.711 -1.196 . . . . 2.0 113.282 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 55' ' ' ARG . 13.0 mmt180 -129.02 -55.39 1.2 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.701 -1.592 . . . . 3.65 106.701 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 . . . . . 0 C--N 1.296 -1.73 0 CA-C-N 112.759 -2.019 . . . . 3.11 110.614 -179.316 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 123.279 1.514 . . . . 2.53 106.99 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.542 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 20.2 mmtp -69.53 -31.83 70.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.769 -2.014 . . . . 3.78 108.918 -177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -73.59 -24.51 60.07 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 116.58 -2.048 . . . . 1.82 105.913 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -57.5 4.74 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.604 -1.238 . . . . 0.87 112.348 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.588 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 2.6 pt? -68.48 -27.94 66.59 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.111 -2.636 . . . . 2.37 108.658 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -66.76 -36.96 83.65 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 115.831 -2.348 . . . . 2.15 106.823 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.401 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 43.0 tpp -63.3 -45.51 91.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.999 -1.482 . . . . 2.42 106.999 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.08 69.3 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.123 -1.031 . . . . 0.67 109.383 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -66.05 -39.7 90.33 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.289 -2.115 . . . . 3.15 105.289 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 9.4 m-85 -72.32 -24.5 61.32 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.425 -1.31 . . . . 2.71 109.835 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.96 -37.07 79.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 103.991 -2.596 . . . . 0.93 103.991 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -64.57 -37.74 88.62 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.333 -1.747 . . . . 2.68 106.87 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -60.45 -38.6 84.68 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.95 -1.5 . . . . 0.72 108.042 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.98 -40.08 92.08 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 117.546 -1.662 . . . . 1.8 107.018 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 m -59.84 -30.7 69.13 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.879 -1.128 . . . . 0.56 108.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.69 -58.58 5.9 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 104.032 -2.581 . . . . 1.31 104.032 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -53.49 -19.61 3.86 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.802 -1.09 . . . . 1.02 110.795 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.81 -36.25 23.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.45 -1.3 . . . . 1.71 109.846 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 tp -50.49 -59.66 3.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 124.406 1.066 . . . . 1.08 111.037 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 3.8 mp0 -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 125.006 1.441 . . . . 1.84 108.747 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HE3' ' SD ' ' B' ' 11' ' ' MET . 62.2 mttm -51.21 -47.48 62.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.361 -1.29 . . . . 1.86 111.403 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.54 -33.85 68.53 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.552 -1.259 . . . . 1.22 110.966 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -69.76 -53.55 17.85 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 117.613 -1.635 . . . . 1.7 110.171 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.53 -26.46 68.72 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.526 -1.27 . . . . 2.61 110.782 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -89.97 14.14 12.96 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.346 -0.942 . . . . 1.79 110.434 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' HH21 ' B' ' 55' ' ' ARG . 19.3 t0 48.75 71.66 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 123.222 1.487 . . . . 2.45 109.288 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.98 55.05 1.72 Allowed 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 103.668 -2.715 . . . . 0.89 103.668 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.57 -39.47 64.83 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.621 -1.627 . . . . 2.83 109.408 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 34' ' ' GLN . 8.9 pt-20 -60.33 -41.47 93.62 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.903 -1.519 . . . . 2.15 108.28 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.555 ' HG3' ' SG ' ' B' ' 52' ' ' CYS . 91.1 mm-40 -74.74 -14.44 60.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.794 -1.562 . . . . 2.26 108.691 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -56.92 6.94 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 104.217 -2.512 . . . . 0.65 104.217 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -50.61 -55.55 15.83 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 117.653 -1.619 . . . . 1.67 110.242 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.3 mm -55.42 -31.53 27.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 112.93 -1.941 . . . . 1.12 109.193 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.2 t -71.23 -43.33 67.52 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.27 -1.372 . . . . 0.7 110.025 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.5 76.02 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 117.99 -1.484 . . . . 2.82 107.945 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -59.96 -31.85 70.26 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.619 -1.173 . . . . 0.77 109.773 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -74.45 -35.43 63.33 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.717 -1.216 . . . . 1.22 107.717 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -57.42 -59.82 4.58 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 112.425 -2.17 . . . . 1.21 108.726 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.43 -40.57 96.0 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 117.404 -1.719 . . . . 1.86 110.698 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -61.21 -28.58 69.25 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.101 -1.84 . . . . 2.24 109.392 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.67 65.69 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.378 -2.453 . . . . 0.7 104.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -73.03 -16.2 61.5 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 117.659 -1.616 . . . . 1.45 106.686 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.81 -36.8 56.66 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 104.488 -2.412 . . . . 2.02 104.488 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.94 -31.83 73.25 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 104.458 -2.423 . . . . 1.52 104.458 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 83.4 t80 -69.66 -43.24 72.99 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.219 -0.992 . . . . 1.4 109.844 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -64.13 -63.52 1.13 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.5 -0.926 . . . . 2.29 108.5 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.598 ' HB3' HE21 ' B' ' 34' ' ' GLN . 30.1 m -50.0 -43.36 50.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.553 -1.203 . . . . 2.11 111.887 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 9' ' ' LEU . 28.6 p -72.9 -29.94 63.54 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 116.184 -2.207 . . . . 2.41 108.962 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.8 -25.48 66.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.009 -1.848 . . . . 1.58 106.009 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 C-N-CA 116.866 -1.934 . . . . 2.0 106.75 179.592 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 105.474 -2.047 . . . . 2.53 105.474 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.511 ' HA ' ' CE ' ' B' ' 6' ' ' LYS . 0.4 OUTLIER -69.82 -28.25 65.55 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 118.422 -1.311 . . . . 3.78 109.109 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -68.57 -48.46 64.17 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 117.341 -1.743 . . . . 1.82 107.137 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.99 79.29 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.427 -1.309 . . . . 0.87 109.38 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.12 -49.19 72.38 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 113.902 -1.499 . . . . 2.37 111.971 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -69.01 -34.94 76.07 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.197 -1.401 . . . . 2.15 111.71 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' MET . . . . . 0.406 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 93.8 mtp -70.11 -36.6 74.97 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 117.958 -1.497 . . . . 2.42 109.15 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.91 73.03 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.849 -1.908 . . . . 0.67 105.849 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -70.96 -25.16 62.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 105.746 -1.946 . . . . 3.15 105.746 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -32.73 59.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.719 -1.586 . . . . 2.71 106.719 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -59.22 -48.04 88.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 103.525 -2.769 . . . . 0.93 103.525 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.508 ' HD2' ' HA ' ' B' ' 46' ' ' ASP . 33.7 mtp-105 -55.88 -36.41 67.59 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 118.002 -1.479 . . . . 2.68 110.578 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -64.44 -56.68 12.65 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 117.606 -1.638 . . . . 0.72 109.235 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -54.79 -60.45 3.34 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.688 0.756 . . . . 1.8 109.951 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.402 HG22 ' SG ' ' B' ' 38' ' ' CYS . 30.5 m -51.85 -31.22 26.91 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.183 -1.826 . . . . 0.56 110.946 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.18 -49.17 53.07 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 116.98 -1.888 . . . . 1.31 108.431 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -70.63 -19.95 62.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 117.538 -1.665 . . . . 1.02 108.207 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 tp -72.76 -43.65 62.58 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.687 -1.968 . . . . 1.71 105.687 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.59 -51.97 61.31 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.558 -1.645 . . . . 1.08 106.558 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -48.01 -59.77 3.11 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.593 -1.64 . . . . 1.84 108.523 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -59.33 -28.75 67.1 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.666 -1.152 . . . . 1.86 111.574 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 74.4 mt -67.28 -42.82 83.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 116.794 -1.963 . . . . 1.22 106.325 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -57.44 -42.42 82.41 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.416 -1.313 . . . . 1.7 109.656 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -62.87 -34.43 77.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.323 -1.351 . . . . 2.61 110.105 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.96 28.23 1.42 Allowed 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.399 -0.921 . . . . 1.79 109.878 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 50.88 17.6 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.126 0.891 . . . . 2.45 111.034 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.59 50.46 1.91 Allowed 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.768 -0.773 . . . . 0.89 109.571 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -62.96 -32.51 73.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 124.296 0.998 . . . . 2.83 110.707 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.79 -50.4 73.37 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.887 -2.264 . . . . 2.15 104.887 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.598 HE21 ' HB3' ' A' ' 51' ' ' SER . 6.6 mp0 -64.91 -23.15 67.14 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.914 -1.494 . . . . 2.26 109.107 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.67 70.75 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.414 -1.714 . . . . 0.65 108.268 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -60.21 -49.6 76.98 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.311 -1.737 . . . . 1.67 106.311 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.31 -34.4 50.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 112.124 -2.307 . . . . 1.12 107.739 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' B' ' 19' ' ' THR . 34.9 t -72.86 -29.56 63.3 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 118.666 -1.214 . . . . 0.7 109.799 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.72 -52.7 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.817 -1.549 . . . . 2.82 106.817 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.5 m -59.56 -34.49 72.75 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.294 -1.321 . . . . 0.77 109.124 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.42 -39.07 81.74 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.192 -1.403 . . . . 1.22 108.808 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.91 -54.56 40.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.029 -1.441 . . . . 1.21 109.647 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.89 -47.11 81.27 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.294 1.045 . . . . 1.86 109.973 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.55 -32.18 73.09 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 113.523 -1.671 . . . . 2.24 108.565 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.17 -21.28 46.65 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.525 -1.287 . . . . 0.7 107.525 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.508 ' HA ' ' HD2' ' B' ' 16' ' ' ARG . 33.7 t0 -78.23 -8.9 58.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.405 -1.331 . . . . 1.45 107.405 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' B' ' 49' ' ' TYR . 22.1 mm-40 -70.85 -38.13 73.14 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 116.292 -2.163 . . . . 2.02 105.801 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.447 ' N ' HD12 ' B' ' 48' ' ' LEU . 8.0 mp -65.68 -4.29 6.09 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 114.104 -1.407 . . . . 1.52 108.722 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' B' ' 47' ' ' GLU . 56.6 t80 -107.94 -82.91 0.55 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 100.281 -3.97 . . . . 1.4 100.281 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 30.8 mtm180 -33.42 -70.86 0.07 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.126 1.528 . . . . 2.29 115.126 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -57.77 -34.99 70.17 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.754 -1.179 . . . . 2.11 109.893 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.555 ' SG ' ' HG3' ' A' ' 34' ' ' GLN . 77.5 m -70.37 -26.62 63.8 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 116.076 -2.25 . . . . 2.41 109.197 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.84 -39.93 90.93 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 103.481 -2.785 . . . . 1.58 103.481 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.26 68.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 117.082 -1.847 . . . . 2.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.442 HH21 ' CG ' ' A' ' 30' ' ' ASP . 10.5 mmm180 -77.29 -19.1 56.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 117.991 -1.484 . . . . 3.65 111.967 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 . . . . . 0 N--CA 1.491 1.622 0 C-N-CA 118.365 -1.334 . . . . 3.11 108.915 -179.091 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.111 0.958 . . . . 2.53 108.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -63.86 -22.33 66.87 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.973 -1.491 . . . . 3.78 112.507 -178.372 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.498 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 5.9 m -78.16 -38.02 44.54 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 116.408 -2.117 . . . . 1.82 109.301 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.1 75.32 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.756 -2.313 . . . . 0.87 104.756 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -58.18 -65.35 0.66 Allowed 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 113.353 -1.749 . . . . 2.37 109.54 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 11' ' ' MET . 0.4 OUTLIER -61.91 -21.13 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 118.065 -1.454 . . . . 2.15 112.257 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' HD22 ' A' ' 10' ' ' ASN . 75.9 mmm -84.9 -21.85 29.53 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 117.094 -1.842 . . . . 2.42 108.568 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.36 -45.39 76.44 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 102.678 -3.082 . . . . 0.67 102.678 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -59.39 -26.8 65.43 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 111.551 -2.568 . . . . 3.15 108.119 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.63 -49.54 68.31 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.366 -1.734 . . . . 2.71 107.645 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.0 mt -57.6 -38.58 64.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 C-N-CA 118.552 -1.259 . . . . 0.93 108.179 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 ttt180 -56.16 -43.61 78.5 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 118.365 -1.334 . . . . 2.68 107.505 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 m -63.78 -43.69 95.6 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.687 -1.205 . . . . 0.72 110.698 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.92 -48.55 75.49 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 118.057 -1.457 . . . . 1.8 109.51 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.7 m -56.78 -35.48 68.74 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.451 -1.25 . . . . 0.56 111.265 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.64 -45.92 92.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.747 -1.575 . . . . 1.31 106.747 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -58.82 -37.17 75.79 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 114.015 -1.448 . . . . 1.02 108.484 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.07 -44.98 96.56 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.096 -1.842 . . . . 1.71 108.899 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.8 tp -49.72 -45.27 49.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 124.347 1.029 . . . . 1.08 108.651 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.34 -43.21 88.2 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.686 -1.143 . . . . 1.84 108.967 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.4 -36.5 84.16 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 116.9 -1.92 . . . . 1.86 110.175 -178.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.504 HD22 ' SG ' ' A' ' 38' ' ' CYS . 11.0 mp -70.66 -22.37 62.5 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.538 -1.665 . . . . 1.22 107.832 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -64.49 -35.15 80.03 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.501 -1.666 . . . . 1.7 106.501 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -53.44 57.48 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 118.367 -1.333 . . . . 2.61 108.134 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.4 mp -89.98 25.7 2.05 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.27 -0.972 . . . . 1.79 112.348 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.445 ' CG ' HH22 ' B' ' 55' ' ' ARG . 6.7 p-10 33.84 31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 125.443 1.715 . . . . 2.45 112.7 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -68.69 86.17 0.32 Allowed 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.073 -1.051 . . . . 0.89 109.373 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.67 -52.63 63.56 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 125.102 1.501 . . . . 2.83 110.876 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -49.49 -57.14 7.59 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.082 -1.417 . . . . 2.15 110.224 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -72.39 -15.08 61.85 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 117.432 -1.707 . . . . 2.26 110.144 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.05 78.59 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 103.667 -2.716 . . . . 0.65 103.667 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.58 -53.62 56.3 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 117.448 -1.701 . . . . 1.67 107.761 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.1 mt -52.62 -34.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 C-N-CA 117.947 -1.501 . . . . 1.12 109.558 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.504 ' SG ' HD22 ' A' ' 26' ' ' LEU . 55.6 m -70.04 -37.96 75.73 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 117.599 -1.64 . . . . 0.7 111.062 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.08 -47.48 51.12 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 117.954 -1.498 . . . . 2.82 108.691 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' HIS . 17.5 m -59.45 -35.04 73.3 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 118.741 -1.184 . . . . 0.77 108.369 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -72.13 -42.65 65.77 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.019 0.914 . . . . 1.22 108.566 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 84.4 t60 -52.06 -50.98 60.44 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 112.921 -1.945 . . . . 1.21 108.552 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.06 -24.04 38.09 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.886 -1.506 . . . . 1.86 112.27 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CE1' HG23 ' B' ' 37' ' ' ILE . 67.2 t60 -65.18 -35.82 82.27 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.22 -2.141 . . . . 2.24 105.22 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.17 69.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 105.955 -1.868 . . . . 0.7 105.955 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' CG ' ' NH1' ' A' ' 16' ' ' ARG . 36.9 t70 -68.34 -16.58 63.99 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.078 -1.449 . . . . 1.45 110.247 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 49' ' ' TYR . 9.4 mm-40 -65.01 -33.22 75.53 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 116.016 -2.274 . . . . 2.02 105.898 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HA ' ' NE2' ' B' ' 34' ' ' GLN . 32.5 mt -73.39 11.36 0.79 Allowed 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 113.623 -1.626 . . . . 1.52 108.832 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' A' ' 47' ' ' GLU . 44.6 t80 -120.15 -37.03 3.13 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 103.054 -2.943 . . . . 1.4 103.054 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -75.28 -79.75 0.09 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.518 -1.219 . . . . 2.29 112.716 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -55.96 -21.2 19.6 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.558 -0.857 . . . . 2.11 111.029 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' B' ' 34' ' ' GLN . 50.9 m -73.57 -47.69 38.62 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 117.724 -1.591 . . . . 2.41 106.82 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.5 -32.29 73.17 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 117.591 -1.644 . . . . 1.58 108.328 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.458 0 C-N-CA 118.692 -1.203 . . . . 2.0 110.708 -179.261 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 107.555 -1.276 . . . . 2.53 107.555 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -57.58 -26.01 60.83 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.173 -1.376 . . . . 3.78 109.075 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.7 m -78.17 -34.97 49.36 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.38 -1.328 . . . . 1.82 110.737 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.3 70.07 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 106.095 -1.817 . . . . 0.87 106.095 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tt -56.56 -52.84 63.28 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 111.391 -2.641 . . . . 2.37 105.084 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.18 -49.5 73.85 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.559 -1.655 . . . . 2.15 110.041 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.9 mmm -55.58 -39.49 70.76 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.214 -0.994 . . . . 2.42 111.353 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.14 86.13 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.668 -1.613 . . . . 0.67 107.939 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' B' ' 13' ' ' ARG . 2.8 tpm_? -67.62 -39.97 84.68 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 117.338 -1.745 . . . . 3.15 109.958 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -65.66 -45.69 81.96 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.633 -1.227 . . . . 2.71 109.895 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.6 mt -53.72 -44.87 60.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 CA-C-N 115.439 -0.8 . . . . 0.93 109.329 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' B' ' 42' ' ' HIS . 52.9 ttt85 -49.98 -52.98 29.56 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 118.428 -1.309 . . . . 2.68 107.961 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -53.79 -49.37 68.44 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.057 -1.429 . . . . 0.72 110.57 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.08 -39.37 78.37 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 118.478 -1.289 . . . . 1.8 110.552 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -59.97 -34.91 73.92 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 117.826 -1.55 . . . . 0.56 109.626 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.45 -44.45 96.38 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 117.355 -1.738 . . . . 1.31 106.385 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -61.57 -37.22 83.03 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.593 -1.243 . . . . 1.02 110.617 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.66 -32.58 68.06 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 118.168 -1.413 . . . . 1.71 109.389 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.66 -53.03 60.17 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.998 -1.081 . . . . 1.08 109.79 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.446 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 17.3 mt-10 -43.69 -57.07 3.39 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 125.552 1.783 . . . . 1.84 108.866 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 29' ' ' LEU . 35.5 mmtm -57.44 -50.87 71.61 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 111.9 -2.409 . . . . 1.86 112.134 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -55.81 -29.41 59.7 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.19 -1.404 . . . . 1.22 110.223 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -67.15 -40.03 86.64 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 117.571 -1.652 . . . . 1.7 107.241 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.41 -32.48 64.45 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.828 -1.149 . . . . 2.61 111.458 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 25' ' ' LYS . 44.5 mt -77.24 20.21 0.29 Allowed 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 115.187 1.551 . . . . 1.79 115.187 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.82 33.3 16.72 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 105.97 -1.863 . . . . 2.45 105.97 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.426 ' HB1' ' CG ' ' B' ' 34' ' ' GLN . . . -111.45 68.97 0.67 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.326 -1.361 . . . . 0.89 107.326 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -59.85 -58.6 7.84 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.235 -1.802 . . . . 2.83 112.151 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -24.82 67.83 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.303 -1.359 . . . . 2.15 109.994 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' A' ' 52' ' ' CYS . 10.9 mm100 -74.39 -27.68 60.75 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 116.496 -2.082 . . . . 2.26 105.782 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -58.16 8.33 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 104.505 -2.406 . . . . 0.65 104.505 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.62 -59.02 3.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 125.076 1.485 . . . . 1.67 111.377 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' A' ' 44' ' ' HIS . 72.2 mt -55.01 -30.85 24.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 CA-C-N 113.851 -1.522 . . . . 1.12 109.876 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 51.5 t -80.52 -27.22 37.72 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.696 -1.202 . . . . 0.7 110.346 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.93 -41.86 64.09 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.523 -2.399 . . . . 2.82 104.523 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 26.7 m -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.044 -1.836 . . . . 0.77 106.044 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.33 -39.74 88.13 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.369 -0.932 . . . . 1.22 108.798 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.503 ' CG ' HH11 ' B' ' 16' ' ' ARG . 3.0 t60 -52.65 -53.67 43.9 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 113.459 -1.7 . . . . 1.21 110.182 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.21 -29.71 34.47 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.15 -1.82 . . . . 1.86 112.227 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.56 -26.24 67.03 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 117.519 -1.672 . . . . 2.24 108.532 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.18 74.73 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.276 -2.861 . . . . 0.7 103.276 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.435 ' HB3' HH12 ' B' ' 50' ' ' ARG . 33.7 t0 -77.21 -20.53 55.18 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 113.242 -1.799 . . . . 1.45 106.83 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.46 -36.59 73.99 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 116.481 -2.088 . . . . 2.02 106.692 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.421 HD21 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -64.73 -43.77 92.31 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.988 -2.597 . . . . 1.52 103.988 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 80.7 t80 -54.77 -45.98 74.32 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.553 -1.203 . . . . 1.4 110.896 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.435 HH12 ' HB3' ' B' ' 46' ' ' ASP . 56.8 mtm-85 -67.18 -55.76 12.78 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.635 -0.826 . . . . 2.29 110.476 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.0 m -56.12 -25.21 45.01 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.451 -1.25 . . . . 2.11 110.405 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' B' ' 56' ' ' PHE . 52.4 t -66.73 -47.48 72.17 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.064 -2.198 . . . . 2.41 105.064 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.45 -37.66 73.21 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.003 -1.479 . . . . 1.58 108.159 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.22 -60.34 3.32 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 115.121 1.526 . . . . 2.0 115.121 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.445 HH22 ' CG ' ' A' ' 30' ' ' ASP . 26.4 ttt180 -85.66 -34.01 21.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 116.658 -2.017 . . . . 3.65 112.081 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' SG ' ' B' ' 52' ' ' CYS . 2.2 m-30 . . . . . 0 C--N 1.298 -1.659 0 C-N-CA 116.53 -2.068 . . . . 3.11 107.605 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 21.8 mp0 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 104.038 -2.579 . . . . 2.53 104.038 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.58 -32.91 71.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.753 -1.579 . . . . 3.78 107.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 m -69.46 -37.99 77.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.52 -1.672 . . . . 1.82 107.2 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -27.01 67.49 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.972 -1.091 . . . . 0.87 109.2 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.89 -41.71 97.64 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 104.978 -2.23 . . . . 2.37 104.978 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -71.1 -35.88 71.98 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.007 -1.477 . . . . 2.15 112.512 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.466 ' SD ' ' HG ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -72.67 -29.61 63.57 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 115.818 -2.353 . . . . 2.42 107.917 -178.663 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 105.715 -1.957 . . . . 0.67 105.715 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 38.5 ttm180 -63.08 -30.51 71.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.578 -1.647 . . . . 3.15 107.556 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.38 -47.93 83.58 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.209 -1.797 . . . . 2.71 108.037 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.85 -36.8 63.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.825 -1.15 . . . . 0.93 108.056 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.464 HH21 ' CD2' ' A' ' 42' ' ' HIS . 18.1 mtp180 -61.8 -52.37 64.47 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.188 -1.805 . . . . 2.68 110.683 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -61.53 -34.15 75.05 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.856 -1.066 . . . . 0.72 110.914 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.46 -54.17 36.66 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.153 -1.795 . . . . 1.8 106.153 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -60.78 -26.53 67.32 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.159 -1.837 . . . . 0.56 109.502 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.34 -55.32 14.31 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 117.784 -1.566 . . . . 1.31 107.199 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -67.39 -19.12 65.36 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.984 -1.462 . . . . 1.02 108.896 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.05 -35.41 56.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.991 -1.855 . . . . 1.71 105.991 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.86 -53.79 54.37 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 105.781 -1.933 . . . . 1.08 105.781 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.6 -67.34 0.27 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.746 -2.479 . . . . 1.84 109.255 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -53.15 -29.57 32.04 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 113.975 -1.466 . . . . 1.86 113.089 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.68 -35.64 72.91 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.516 -1.674 . . . . 1.22 107.719 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -64.67 -36.84 85.56 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.345 -1.724 . . . . 1.7 106.345 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -71.59 -32.69 68.31 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.05 -1.06 . . . . 2.61 110.335 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp -89.29 20.67 3.66 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.077 -1.049 . . . . 1.79 110.838 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' B' ' 55' ' ' ARG . 36.5 t70 54.44 72.3 0.47 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 124.423 1.077 . . . . 2.45 108.268 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.76 121.43 13.41 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.33 -1.729 . . . . 0.89 106.33 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' CG ' HH22 ' B' ' 55' ' ' ARG . 43.4 m-20 -105.3 -68.52 0.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 124.95 1.406 . . . . 2.83 108.168 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -44.63 -42.12 7.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.922 1.389 . . . . 2.15 110.715 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' B' ' 52' ' ' CYS . 9.8 mt-30 -69.18 -40.25 78.21 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.422 -1.311 . . . . 2.26 109.282 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.4 96.43 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.227 -1.389 . . . . 0.65 109.285 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -58.7 -63.29 1.34 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.361 -0.936 . . . . 1.67 109.635 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -27.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.905 -1.118 . . . . 1.12 109.682 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.09 -42.87 93.67 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.871 -1.529 . . . . 0.7 106.871 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -66.6 -36.39 82.5 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 106.352 -1.721 . . . . 2.82 106.352 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -64.3 -30.92 71.95 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 116.84 -1.944 . . . . 0.77 107.935 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.28 -34.89 68.52 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 104.43 -2.433 . . . . 1.22 104.43 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CD2' HH21 ' A' ' 16' ' ' ARG . 63.0 t60 -61.88 -53.76 51.3 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.108 -1.037 . . . . 1.21 110.824 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.82 -38.26 79.75 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 117.879 -1.528 . . . . 1.86 110.751 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -65.88 -28.5 69.0 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 115.968 -2.293 . . . . 2.24 107.173 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.73 -26.04 59.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 104.119 -2.548 . . . . 0.7 104.119 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 40.9 t0 -71.39 -29.61 65.14 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 104.722 -2.325 . . . . 1.45 104.722 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 49' ' ' TYR . 57.2 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 102.462 -3.162 . . . . 2.02 102.462 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 tp -75.65 16.41 0.39 Allowed 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.345 -1.298 . . . . 1.52 109.311 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.588 ' HA ' ' HG ' ' A' ' 52' ' ' CYS . 70.4 t80 -128.85 -24.39 2.96 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.795 -1.558 . . . . 1.4 106.795 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.463 HH21 ' CG ' ' A' ' 47' ' ' GLU . 79.9 mtm180 -103.26 -63.1 1.21 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.322 -1.362 . . . . 2.29 107.322 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 m -59.76 -30.92 69.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 105.107 -2.182 . . . . 2.11 105.107 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.588 ' HG ' ' HA ' ' A' ' 49' ' ' TYR . 11.9 p -72.05 -31.85 66.54 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 116.301 -2.159 . . . . 2.41 108.383 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.42 -25.86 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.387 -1.338 . . . . 1.58 107.387 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.693 0 C-N-CA 117.943 -1.503 . . . . 2.0 109.259 179.107 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 66.3 mt-10 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 106.919 -1.511 . . . . 2.53 106.919 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -62.28 -23.58 66.79 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.066 -1.454 . . . . 3.78 110.201 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -73.58 -49.04 28.31 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.261 -1.755 . . . . 1.82 106.261 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.224 -1.028 . . . . 0.87 108.224 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.44 -42.23 98.43 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.246 -1.391 . . . . 2.37 107.246 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.85 -37.05 85.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.045 -1.462 . . . . 2.15 109.226 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.86 -39.86 94.23 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.15 -1.42 . . . . 2.42 109.865 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.65 95.0 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.302 -1.359 . . . . 0.67 108.542 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' B' ' 49' ' ' TYR . 41.5 ttm180 -64.72 -32.43 74.1 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.348 -1.341 . . . . 3.15 107.968 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.16 -49.29 76.44 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.435 -1.706 . . . . 2.71 108.308 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mt -53.84 -43.1 55.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 C-N-CA 118.697 -1.201 . . . . 0.93 109.122 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.488 ' NH2' ' HA ' ' B' ' 43' ' ' ASP . 25.5 ttt85 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.67 -1.612 . . . . 2.68 108.827 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -69.38 -33.79 73.57 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.326 -0.95 . . . . 0.72 111.252 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.51 -44.84 93.12 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.673 -1.603 . . . . 1.8 106.673 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.456 HG22 ' SG ' ' B' ' 38' ' ' CYS . 25.6 m -63.66 -39.79 95.22 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 113.38 -1.736 . . . . 0.56 109.797 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 67.1 tp -61.59 -58.77 6.78 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.282 -1.367 . . . . 1.31 110.982 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -59.45 -38.45 80.74 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.257 -1.338 . . . . 1.02 110.746 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' SD ' ' A' ' 11' ' ' MET . 3.5 mm? -69.69 -27.99 65.47 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 116.969 -1.892 . . . . 1.71 109.557 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.2 -46.1 75.87 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.195 -1.402 . . . . 1.08 107.739 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.428 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 18.2 mt-10 -52.35 -57.43 9.8 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.879 -1.897 . . . . 1.84 105.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.428 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 36.3 mmtm -59.38 -23.08 62.28 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 112.649 -2.069 . . . . 1.86 112.018 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.17 -33.22 65.32 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 116.068 -2.253 . . . . 1.22 105.148 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -65.94 -50.79 63.12 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 117.679 -1.608 . . . . 1.7 107.729 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.39 -33.91 73.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.231 -0.895 . . . . 2.61 110.793 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 31' ' ' ALA . 74.6 mt -90.01 39.71 0.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.223 -0.899 . . . . 1.79 109.635 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 34.03 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 O-C-N 126.202 2.189 . . . . 2.45 114.711 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' B' ' 34' ' ' GLN . . . -108.15 46.39 0.96 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 103.929 -2.619 . . . . 0.89 103.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.511 -1.222 . . . . 2.83 109.555 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.612 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.0 OUTLIER -59.72 -42.17 92.49 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 105.686 -1.968 . . . . 2.15 105.686 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.42 ' CG ' ' HB1' ' B' ' 31' ' ' ALA . 76.1 mm-40 -68.59 -22.67 64.44 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 117.447 -1.701 . . . . 2.26 108.676 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.92 94.4 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 106.03 -1.841 . . . . 0.65 106.03 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -54.06 50.47 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 123.041 1.4 . . . . 1.67 109.043 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 57.1 mt -56.6 -30.54 32.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 113.07 -1.877 . . . . 1.12 108.297 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' B' ' 19' ' ' THR . 33.7 t -75.86 -26.68 57.34 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.068 -1.053 . . . . 0.7 110.163 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 53.5 mt-10 -68.86 -43.84 74.56 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.5 -2.037 . . . . 2.82 105.5 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -58.87 -51.72 68.79 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 117.614 -1.634 . . . . 0.77 107.602 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.1 -33.63 69.31 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.118 -0.946 . . . . 1.22 109.612 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' B' ' 39' ' ' GLU . 12.0 t-160 -59.08 -55.43 35.21 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.273 -1.33 . . . . 1.21 109.929 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 16.7 t70 -79.14 -17.69 54.56 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 115.812 -2.355 . . . . 1.86 110.021 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.616 -1.994 . . . . 2.24 105.616 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.57 64.24 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 103.945 -2.613 . . . . 0.7 103.945 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.92 -26.39 36.8 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.387 -1.725 . . . . 1.45 107.454 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.511 ' CD ' HH11 ' B' ' 50' ' ' ARG . 46.9 mm-40 -58.9 -35.34 72.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 104.072 -2.566 . . . . 2.02 104.072 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.86 -50.08 58.52 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 117.879 -1.528 . . . . 1.52 107.119 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 64.7 t80 -49.48 -62.65 1.43 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 113.7 -1.591 . . . . 1.4 112.402 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.511 HH11 ' CD ' ' B' ' 47' ' ' GLU . 12.1 ptp180 -58.46 -37.53 75.65 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.773 -0.648 . . . . 2.29 110.309 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 73.1 m -66.94 -25.96 66.6 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 117.219 -1.792 . . . . 2.11 109.757 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . 73.1 m -69.44 -48.46 60.84 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.511 -2.403 . . . . 2.41 104.511 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.55 -22.8 64.05 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 114.418 -1.265 . . . . 1.58 109.51 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.12 -59.07 2.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 117.624 -1.63 . . . . 2.0 110.887 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.4 ttt180 -67.56 -52.29 40.46 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 117.934 -1.507 . . . . 3.65 110.409 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.456 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 15.6 m-85 . . . . . 0 C--N 1.3 -1.578 0 C-N-CA 118.339 -1.344 . . . . 3.11 109.503 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.214 -0.777 0 CA-C-O 122.214 1.007 . . . . 2.53 110.127 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -54.49 -37.17 64.98 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.216 -1.811 . . . . 3.78 107.819 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -59.21 -46.69 87.78 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.622 -1.172 . . . . 1.82 109.509 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.68 83.28 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.65 -1.22 . . . . 0.87 109.04 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.09 -23.83 60.58 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 116.763 -1.975 . . . . 2.37 108.755 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.22 -27.55 66.47 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 104.947 -2.242 . . . . 2.15 104.947 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.5 mtp -80.76 -24.36 38.72 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.13 -1.804 . . . . 2.42 106.13 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.29 70.57 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.441 -1.688 . . . . 0.67 106.441 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -60.24 -32.44 71.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 105.995 -1.854 . . . . 3.15 105.995 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -64.83 -36.76 85.36 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.614 -1.634 . . . . 2.71 108.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.56 -40.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 105.785 -1.932 . . . . 0.93 105.785 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.526 ' HG2' ' ND1' ' A' ' 42' ' ' HIS . 9.5 ttt85 -58.0 -50.03 74.79 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 105.73 -1.952 . . . . 2.68 105.73 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 m -55.22 -34.55 64.05 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.581 -1.19 . . . . 0.72 113.267 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -63.47 -46.87 84.19 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.086 -1.846 . . . . 1.8 106.417 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -63.55 -21.23 66.23 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.544 -2.116 . . . . 0.56 109.299 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -69.59 -59.48 2.94 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.845 -2.65 . . . . 1.31 103.845 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -21.55 30.1 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 113.675 -1.602 . . . . 1.02 110.415 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.63 -40.21 23.27 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 117.316 -1.754 . . . . 1.71 107.093 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.2 -59.71 4.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.224 -1.353 . . . . 1.08 110.601 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 2.8 pt-20 -55.1 -49.29 72.09 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.901 -1.12 . . . . 1.84 111.788 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HZ3' ' CD ' ' A' ' 24' ' ' GLU . 9.6 mmtm -58.97 -41.95 88.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.527 -1.269 . . . . 1.86 111.675 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.72 -40.79 98.3 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.368 -1.733 . . . . 1.22 107.64 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.1 -46.6 82.46 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.3 -1.318 . . . . 1.7 108.947 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.0 -26.14 67.4 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 113.919 -1.491 . . . . 2.61 110.653 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.99 25.0 2.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.852 -1.139 . . . . 1.79 108.26 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 51.97 18.72 0.85 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.729 1.268 . . . . 2.45 110.31 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.5 60.54 1.9 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 104.775 -2.306 . . . . 0.89 104.775 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.83 -25.19 62.73 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.321 -1.752 . . . . 2.83 110.121 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 2.3 mp0 -58.91 -50.83 72.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.039 -2.208 . . . . 2.15 105.039 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.44 -25.98 66.18 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 110.953 -2.84 . . . . 2.26 108.407 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.24 79.84 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 117.011 -1.876 . . . . 0.65 107.063 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.27 -57.21 13.19 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.483 -1.287 . . . . 1.67 109.793 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.69 -32.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 114.061 -1.427 . . . . 1.12 108.661 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 117.805 -1.558 . . . . 0.7 110.73 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.69 -48.03 23.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 102.119 -3.289 . . . . 2.82 102.119 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -52.18 -33.83 42.44 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 118.052 -1.459 . . . . 0.77 109.247 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 tp -75.86 -36.6 59.53 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.309 -1.737 . . . . 1.22 106.309 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.526 ' ND1' ' HG2' ' A' ' 16' ' ' ARG . 12.7 t60 -58.85 -63.75 1.18 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.635 -1.62 . . . . 1.21 108.629 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 18.1 t70 -68.95 -18.55 64.1 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 117.392 -1.723 . . . . 1.86 111.376 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -44.63 89.58 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 104.657 -2.349 . . . . 2.24 104.657 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.45 -26.32 68.39 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.538 -1.265 . . . . 0.7 108.142 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' CB ' ' NH1' ' A' ' 16' ' ' ARG . 15.0 t70 -78.56 -31.49 47.38 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 117.51 -1.676 . . . . 1.45 108.444 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.37 -42.59 98.87 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.83 -1.548 . . . . 2.02 112.04 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -69.61 -4.08 17.76 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 116.477 -2.089 . . . . 1.52 110.41 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.43 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 6.9 t80 -115.02 -6.09 12.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 124.716 1.26 . . . . 1.4 108.438 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -108.94 -91.73 0.44 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.005 -0.998 . . . . 2.29 113.376 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -53.91 -40.24 66.51 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 118.306 -1.358 . . . . 2.11 108.801 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.95 -44.19 85.75 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.073 -1.851 . . . . 2.41 107.412 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 26.5 tp -55.56 -24.27 31.54 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 116.535 -2.066 . . . . 1.58 112.014 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.717 0 O-C-N 125.13 1.519 . . . . 2.0 107.154 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.41 ' HB2' ' CE1' ' B' ' 56' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.904 0.383 . . . . 2.53 110.712 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -32.33 73.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.727 -1.953 . . . . 3.78 105.727 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -64.95 -36.82 85.61 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 106.548 -1.649 . . . . 1.82 106.548 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.2 99.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.655 -1.618 . . . . 0.87 107.477 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' B' ' 49' ' ' TYR . 2.6 mm? -61.21 -34.52 75.22 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.595 -1.242 . . . . 2.37 108.618 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -63.58 -31.35 72.49 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 117.945 -1.502 . . . . 2.15 109.266 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 43.3 tpp -66.05 -41.36 90.95 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.427 -1.709 . . . . 2.42 107.661 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.83 80.88 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.545 -1.28 . . . . 0.67 107.545 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.404 HH11 ' C ' ' B' ' 13' ' ' ARG . 44.4 ttp85 -63.4 -32.67 74.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.712 -1.586 . . . . 3.15 107.982 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.581 ' HE1' HE21 ' B' ' 18' ' ' GLN . 14.4 t80 -67.12 -39.52 86.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 118.23 -1.388 . . . . 2.71 109.736 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.57 -48.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 105.744 -1.947 . . . . 0.93 105.744 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.497 HH12 ' HB2' ' B' ' 46' ' ' ASP . 17.0 ttm-85 -50.18 -42.91 52.07 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.26 -1.337 . . . . 2.68 109.497 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -57.05 -50.96 71.14 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.261 -1.376 . . . . 0.72 109.757 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.581 HE21 ' HE1' ' B' ' 14' ' ' PHE . 78.2 mt-30 -61.98 -35.2 77.8 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 117.525 -1.67 . . . . 1.8 110.534 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -55.22 -47.8 74.83 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 118.346 -1.341 . . . . 0.56 107.812 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.25 -36.09 80.97 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.247 -1.381 . . . . 1.31 107.981 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -62.41 -27.2 68.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.193 -1.403 . . . . 1.02 108.602 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.05 -21.87 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.298 -1.361 . . . . 1.71 109.588 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.41 -48.59 74.14 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 105.138 -2.171 . . . . 1.08 105.138 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.491 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 15.2 tt0 -46.78 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 110.943 -2.844 . . . . 1.84 109.474 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 55.9 mttp -55.59 -59.09 5.33 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 111.381 -2.645 . . . . 1.86 113.077 -176.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -51.03 -31.06 17.13 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.068 -1.053 . . . . 1.22 111.282 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -74.26 -56.73 4.55 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 117.735 -1.586 . . . . 1.7 110.0 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' B' ' 30' ' ' ASP . 46.1 mm-40 -62.25 -13.41 27.8 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.205 -0.998 . . . . 2.61 110.152 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -82.86 20.64 1.14 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.45 -0.9 . . . . 1.79 108.583 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' B' ' 28' ' ' GLU . 16.3 t70 55.28 75.49 0.31 Allowed 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.507 1.13 . . . . 2.45 109.039 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.53 71.11 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 112.982 -1.917 . . . . 0.89 106.805 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.76 -29.89 67.11 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.392 -1.336 . . . . 2.83 107.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.74 -62.62 1.73 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.594 -2.002 . . . . 2.15 105.594 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -55.33 -23.7 25.22 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.437 -1.256 . . . . 2.26 110.165 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.69 58.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.569 -1.653 . . . . 0.65 108.529 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.43 -63.65 1.05 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 117.968 -1.493 . . . . 1.67 108.665 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 35.8 mm -44.54 -37.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 125.691 1.869 . . . . 1.12 109.828 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 40.3 t -60.46 -52.91 63.18 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 117.169 -1.812 . . . . 0.7 107.252 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' B' ' 42' ' ' HIS . 28.0 mm-40 -75.87 -4.59 41.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 115.915 -2.314 . . . . 2.82 112.115 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -74.64 -32.86 62.4 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 100.825 -3.768 . . . . 0.77 100.825 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.6 tp -67.08 -45.71 76.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 105.186 -2.153 . . . . 1.22 105.186 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.408 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 4.2 t60 -50.23 -56.61 10.38 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 113.964 -1.471 . . . . 1.21 109.248 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.33 -53.81 48.83 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.719 -1.128 . . . . 1.86 112.04 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.04 -27.4 65.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.556 -1.202 . . . . 2.24 110.587 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.14 67.12 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.36 -1.736 . . . . 0.7 108.154 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.497 ' HB2' HH12 ' B' ' 16' ' ' ARG . 32.5 t0 -72.09 -28.53 63.37 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 116.92 -1.912 . . . . 1.45 107.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.87 -43.53 88.08 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 116.464 -2.094 . . . . 2.02 105.666 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -20.51 66.13 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.065 -1.425 . . . . 1.52 107.63 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.411 ' HA ' ' CD1' ' B' ' 9' ' ' LEU . 79.7 t80 -97.71 -89.58 0.29 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 118.106 -1.438 . . . . 1.4 109.325 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -39.33 -60.54 0.9 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 114.455 1.28 . . . . 2.29 114.455 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.4 m -59.12 -54.37 47.79 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 117.704 -1.598 . . . . 2.11 108.456 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 58.4 m -71.79 3.27 4.32 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 115.826 -2.35 . . . . 2.41 111.052 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -42.42 11.16 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 115.499 -2.48 . . . . 1.58 106.423 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.13 -42.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 125.233 1.583 . . . . 2.0 111.399 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 56' ' ' PHE . 8.5 ttp180 -117.8 -7.81 10.92 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 115.105 -0.952 . . . . 3.65 109.654 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 26.2 t80 . . . . . 0 N--CA 1.485 1.311 1 N-CA-C 90.634 -7.543 . . . . 3.11 90.634 -174.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.665 0.745 . . . . 2.53 110.235 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.06 -33.43 74.37 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.605 -1.257 . . . . 3.78 107.605 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 m -74.15 -33.29 63.45 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.249 -1.38 . . . . 1.82 107.464 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.55 70.71 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.298 -0.961 . . . . 0.87 109.827 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 mt -74.01 -50.92 17.63 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.825 -1.55 . . . . 2.37 108.464 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.46 -34.53 66.97 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.134 -1.432 . . . . 2.15 107.134 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.579 ' SD ' HD13 ' B' ' 22' ' ' LEU . 12.4 tmm? -69.08 -46.66 67.22 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.462 -1.245 . . . . 2.42 109.894 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.82 71.55 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.653 -1.219 . . . . 0.67 108.402 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -70.99 -32.95 69.93 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 105.117 -2.179 . . . . 3.15 105.117 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -67.33 -44.02 80.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.102 -1.439 . . . . 2.71 108.483 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.3 -40.45 81.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 106.024 -1.843 . . . . 0.93 106.024 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.82 -33.33 75.44 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.428 -1.709 . . . . 2.68 107.982 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 m -66.05 -35.66 81.14 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 106.809 -1.552 . . . . 0.72 106.809 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.02 -34.67 73.57 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.512 -1.675 . . . . 1.8 107.91 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -64.84 -24.86 67.67 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 117.946 -1.502 . . . . 0.56 107.203 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -48.88 56.04 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 102.035 -3.32 . . . . 1.31 102.035 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 114.43 -1.259 . . . . 1.02 109.765 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 83.6 mt -85.02 -38.51 19.12 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.264 -1.375 . . . . 1.71 107.649 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.58 -35.0 75.01 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.154 -1.795 . . . . 1.08 106.154 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -61.82 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 112.973 -1.921 . . . . 1.84 107.456 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -45.74 -40.92 10.08 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.31 -1.768 . . . . 1.86 114.41 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.57 -42.85 86.42 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 116.721 -1.992 . . . . 1.22 107.848 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -66.07 -55.73 15.07 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 117.706 -1.598 . . . . 1.7 112.573 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.56 -33.2 73.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 117.858 -1.537 . . . . 2.61 111.416 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.7 mp -86.19 21.67 1.97 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.69 -1.604 . . . . 1.79 111.695 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.1 t70 54.39 75.22 0.3 Allowed 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.518 1.152 . . . . 2.45 110.025 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -146.33 55.45 1.15 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 101.966 -3.346 . . . . 0.89 101.966 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -52.36 -49.5 64.22 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 112.442 -2.163 . . . . 2.83 113.325 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.31 -32.77 73.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 117.023 -1.871 . . . . 2.15 108.767 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.3 -25.5 62.46 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 117.071 -1.851 . . . . 2.26 106.079 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -53.35 31.28 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.076 -1.824 . . . . 0.65 106.076 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -45.12 -56.0 5.16 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 122.68 1.229 . . . . 1.67 110.367 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.04 -39.1 77.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-N 113.774 -1.557 . . . . 1.12 109.317 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 22' ' ' LEU . 41.2 t -68.23 -30.83 69.98 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.178 -1.009 . . . . 0.7 112.221 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -42.78 63.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.489 -1.671 . . . . 2.82 106.489 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 m -63.29 -30.94 71.98 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.882 -1.525 . . . . 0.77 106.882 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -74.43 -29.56 61.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.11 -1.441 . . . . 1.22 107.11 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -64.32 -49.11 73.05 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.042 -1.436 . . . . 1.21 108.322 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.2 -42.58 93.42 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.128 -1.429 . . . . 1.86 107.939 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -58.68 -31.74 68.48 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 113.733 -1.576 . . . . 2.24 109.265 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.531 -2.026 . . . . 0.7 105.531 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -75.37 -20.99 58.66 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.241 -1.784 . . . . 1.45 106.322 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 13.0 tp10 -72.06 -39.19 69.23 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 104.548 -2.39 . . . . 2.02 104.548 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.8 tp -63.97 -12.19 35.42 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.818 -1.549 . . . . 1.52 106.818 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -97.4 -31.45 12.37 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.522 -1.658 . . . . 1.4 106.522 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 47' ' ' GLU . 31.3 mtm-85 -77.59 -63.44 1.38 Allowed 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 112.834 0.679 . . . . 2.29 112.834 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 p -54.36 -41.08 68.73 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.425 -1.31 . . . . 2.11 109.613 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 48' ' ' LEU . 96.9 m -62.65 -45.69 91.67 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.566 -1.654 . . . . 2.41 108.137 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.39 -24.7 66.68 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.486 -1.286 . . . . 1.58 109.089 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.581 0 C-N-CA 116.884 -1.926 . . . . 2.0 107.128 -179.704 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.552 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 32.8 mt-10 . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 122.017 0.913 . . . . 2.53 108.733 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.62 -35.2 73.88 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.259 -1.337 . . . . 3.78 108.982 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -63.53 -44.4 94.37 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.138 -1.43 . . . . 1.82 107.138 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.93 72.27 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.689 -1.204 . . . . 0.87 108.965 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.81 -44.84 90.93 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.383 -1.71 . . . . 2.37 106.383 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -66.75 -31.08 71.49 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 114.251 -1.341 . . . . 2.15 110.357 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 37.8 mmt -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.503 -1.679 . . . . 2.42 108.343 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.52 92.86 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.754 -1.578 . . . . 0.67 107.453 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -62.76 -30.03 71.13 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 118.638 -1.225 . . . . 3.15 109.499 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.21 -55.72 25.78 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.291 -1.364 . . . . 2.71 109.216 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.15 -31.95 27.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 112.881 -1.963 . . . . 0.93 108.056 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.575 ' CZ ' ' HB2' ' B' ' 16' ' ' ARG . 23.9 ttm105 -65.53 -47.98 74.05 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 118.378 -1.329 . . . . 2.68 110.038 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -54.64 -47.41 73.54 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.085 -0.961 . . . . 0.72 111.041 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -66.41 -43.94 84.34 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 115.523 -2.471 . . . . 1.8 109.198 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -54.1 -33.71 58.34 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.123 -1.031 . . . . 0.56 109.867 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.97 -56.53 19.98 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.155 -1.795 . . . . 1.31 106.155 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -61.95 -26.78 68.4 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.169 -1.012 . . . . 1.02 111.046 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.579 HD13 ' SD ' ' A' ' 11' ' ' MET . 66.5 mt -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.477 -1.289 . . . . 1.71 109.584 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 23' ' ' LEU . 3.1 tm? -55.07 -47.81 74.38 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.005 -2.591 . . . . 1.08 104.005 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.501 ' HA ' ' ND2' ' B' ' 27' ' ' ASN . 35.0 tt0 -56.96 -42.65 80.53 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 112.552 -2.113 . . . . 1.84 108.099 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.423 ' N ' ' HZ3' ' B' ' 25' ' ' LYS . 6.4 mmtm -62.36 -30.17 70.99 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 117.353 -1.739 . . . . 1.86 110.756 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 26' ' ' LEU . 4.2 mm? -70.74 -43.95 67.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 115.796 -2.362 . . . . 1.22 106.827 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.501 ' ND2' ' HA ' ' B' ' 24' ' ' GLU . 7.2 p30 -75.81 -11.44 59.98 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 117.8 -1.56 . . . . 1.7 109.795 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' B' ' 30' ' ' ASP . 42.2 tt0 -71.93 -46.59 57.05 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.686 -2.709 . . . . 2.61 103.686 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' B' ' 31' ' ' ALA . 39.0 mt -89.99 40.04 0.99 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.44 -1.709 . . . . 1.79 107.196 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' B' ' 28' ' ' GLU . 5.1 p-10 34.21 21.03 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 126.809 2.568 . . . . 2.45 114.585 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.69 63.99 4.78 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 103.318 -2.845 . . . . 0.89 103.318 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.37 -27.28 68.45 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.021 -1.445 . . . . 2.83 108.919 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.4 mp0 -63.92 -50.17 69.77 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 104.732 -2.322 . . . . 2.15 104.732 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.463 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -69.18 -14.67 63.11 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 116.341 -2.144 . . . . 2.26 109.069 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.94 69.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.209 -2.145 . . . . 0.65 105.209 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.39 -47.35 84.17 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 117.843 -1.543 . . . . 1.67 108.737 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.05 -33.61 43.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 113.918 -1.492 . . . . 1.12 107.864 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.74 -38.58 86.93 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.167 -1.79 . . . . 0.7 106.167 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.56 -19.29 60.39 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.177 -1.809 . . . . 2.82 109.272 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -68.73 -37.46 79.47 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 101.846 -3.39 . . . . 0.77 101.846 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.03 -40.06 87.14 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 106.636 -1.616 . . . . 1.22 106.636 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -53.64 -59.94 3.95 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.52 -0.764 . . . . 1.21 110.039 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.76 -44.73 84.99 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.893 1.071 . . . . 1.86 113.893 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.24 -23.51 65.72 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.482 -1.687 . . . . 2.24 108.898 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.3 -24.0 46.89 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 103.629 -2.73 . . . . 0.7 103.629 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.535 ' HA ' ' CZ ' ' B' ' 16' ' ' ARG . 8.3 t70 -80.0 -18.69 49.61 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 105.767 -1.938 . . . . 1.45 105.767 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' B' ' 49' ' ' TYR . 19.0 mm-40 -65.58 -26.56 67.91 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 104.459 -2.422 . . . . 2.02 104.459 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -83.82 38.48 0.64 Allowed 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.109 -1.812 . . . . 1.52 106.109 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' B' ' 47' ' ' GLU . 30.3 t80 -148.58 -43.94 0.15 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 100.975 -3.713 . . . . 1.4 100.975 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.516 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 41.4 mtm-85 -74.55 -70.01 0.43 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 105.866 -1.901 . . . . 2.29 105.866 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.8 m -57.29 -38.75 74.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.433 -1.258 . . . . 2.11 108.264 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 65.4 m -63.37 -35.83 81.71 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 116.206 -2.198 . . . . 2.41 109.972 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -71.25 -23.22 61.95 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.172 -1.411 . . . . 1.58 107.973 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.59 69.37 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.129 -1.828 . . . . 2.0 108.538 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -101.48 -29.49 11.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.323 -1.351 . . . . 3.65 108.945 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.552 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 13.8 m-30 . . . . . 0 N--CA 1.491 1.603 0 CA-C-N 115.513 -0.767 . . . . 3.11 109.883 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 103.833 -2.654 . . . . 2.53 103.833 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -61.95 -38.07 87.1 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.183 -1.414 . . . . 3.78 107.183 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 m -56.98 -44.07 82.33 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.65 -1.22 . . . . 1.82 109.099 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -57.52 11.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.874 -1.53 . . . . 0.87 109.766 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.41 -12.81 59.07 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.666 -1.152 . . . . 2.37 111.677 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.562 -1.655 . . . . 2.15 106.753 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmm -68.31 -41.16 81.27 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 105.98 -1.859 . . . . 2.42 105.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.15 73.62 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.669 -1.212 . . . . 0.67 108.544 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 36.4 ttp180 -62.17 -43.77 98.08 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 106.175 -1.787 . . . . 3.15 106.175 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.44 ' CE1' ' NH2' ' A' ' 13' ' ' ARG . 23.5 m-85 -62.04 -37.44 84.96 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 117.268 -1.773 . . . . 2.71 108.851 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -59.6 -41.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 C-N-CA 116.859 -1.936 . . . . 0.93 107.439 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.558 HH21 ' CG ' ' A' ' 42' ' ' HIS . 22.8 ttt85 -61.14 -36.63 80.28 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.642 -1.623 . . . . 2.68 107.588 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.42 -40.5 95.89 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.289 -1.364 . . . . 0.72 109.337 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.35 -33.01 74.33 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.054 -1.459 . . . . 1.8 108.322 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.7 m -64.82 -28.18 69.39 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.012 -1.477 . . . . 0.56 107.012 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.72 -51.44 64.96 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 103.308 -2.849 . . . . 1.31 103.308 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 m -53.11 -35.25 59.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.211 -1.396 . . . . 1.02 110.021 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.08 -45.03 90.52 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 116.726 -1.989 . . . . 1.71 107.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.29 -48.83 45.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 124.321 1.013 . . . . 1.08 108.486 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 78.4 mt-10 -51.96 -68.08 0.2 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.816 -1.538 . . . . 1.84 110.696 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -49.43 -40.64 37.39 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 113.925 -1.488 . . . . 1.86 111.178 -177.567 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.36 -39.21 92.03 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 118.471 -1.292 . . . . 1.22 110.102 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -66.1 -44.66 83.74 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 117.748 -1.581 . . . . 1.7 108.519 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.13 -46.2 86.03 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.241 -1.345 . . . . 2.61 111.668 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.1 mp -89.71 24.4 2.36 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.719 -1.192 . . . . 1.79 112.455 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.8 t0 48.44 70.72 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 122.92 1.343 . . . . 2.45 111.598 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.73 60.8 1.69 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 102.377 -3.194 . . . . 0.89 102.377 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.86 -47.54 84.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.894 -1.503 . . . . 2.83 113.076 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -40.34 85.29 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 117.091 -1.844 . . . . 2.15 109.111 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -72.9 -22.41 60.75 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 116.978 -1.889 . . . . 2.26 107.382 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.68 78.23 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 105.662 -1.977 . . . . 0.65 105.662 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.66 -53.76 53.9 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.596 -1.242 . . . . 1.67 110.514 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.71 -32.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 117.965 -1.494 . . . . 1.12 107.268 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.45 -29.64 65.1 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 117.674 -1.61 . . . . 0.7 109.393 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.2 -53.4 9.9 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.053 0.93 . . . . 2.82 109.277 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 p -56.74 -34.03 67.14 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 118.279 -1.368 . . . . 0.77 107.607 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -75.13 -35.32 61.7 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.84 -1.144 . . . . 1.22 108.249 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CG ' HH21 ' A' ' 16' ' ' ARG . 1.3 t60 -51.25 -46.18 62.27 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 113.86 -1.518 . . . . 1.21 107.813 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' CG ' HH22 ' A' ' 16' ' ' ARG . 4.3 m-20 -90.92 -21.3 21.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.997 -1.081 . . . . 1.86 112.32 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.97 -39.68 94.68 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.044 -1.836 . . . . 2.24 106.044 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.63 -15.06 63.12 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 113.451 -1.704 . . . . 0.7 107.77 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 10.3 t70 -85.05 -28.59 25.57 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.848 -1.541 . . . . 1.45 107.239 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.12 -48.39 81.84 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 116.22 -2.192 . . . . 2.02 108.584 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.585 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 4.2 pp -67.03 -9.36 38.27 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.472 -1.691 . . . . 1.52 109.832 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -94.5 -77.57 0.46 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.25 -0.887 . . . . 1.4 109.094 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -68.74 -55.03 12.64 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 115.748 1.759 . . . . 2.29 115.748 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 m -50.18 -45.91 53.87 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.179 -1.408 . . . . 2.11 108.839 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' A' ' 48' ' ' LEU . 99.7 m -65.24 -48.63 72.62 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 117.876 -1.529 . . . . 2.41 107.959 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 tp -48.81 -21.61 0.66 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.743 -0.783 . . . . 1.58 111.787 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 104.859 -2.275 . . . . 2.0 104.859 178.13 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' B' ' 56' ' ' PHE . 8.7 pt-20 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 121.939 0.876 . . . . 2.53 110.287 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -63.29 -38.25 90.41 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.4 -1.333 . . . . 3.78 107.4 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -63.51 -33.33 75.33 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.963 -1.017 . . . . 1.82 108.375 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.6 93.33 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 105.601 -2.0 . . . . 0.87 105.601 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.18 -28.7 68.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.47 -2.092 . . . . 2.37 109.403 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -61.38 -31.66 71.56 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 117.253 -1.779 . . . . 2.15 107.184 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 52.8 tpp -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.222 -1.77 . . . . 2.42 106.222 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.07 -34.14 71.61 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.37 -1.332 . . . . 0.67 109.584 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.426 ' NH1' ' CD2' ' B' ' 49' ' ' TYR . 0.3 OUTLIER -64.43 -39.92 94.75 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.112 -1.435 . . . . 3.15 107.504 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -65.67 -42.24 91.54 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.963 -1.495 . . . . 2.71 109.761 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.44 -24.86 36.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 106.554 -1.647 . . . . 0.93 106.554 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CD2' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -73.78 -41.48 62.36 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.908 -1.515 . . . . 2.68 106.908 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -60.22 -40.56 90.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.638 -1.986 . . . . 0.72 105.638 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.67 -44.83 73.68 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 118.436 -1.306 . . . . 1.8 108.499 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -55.12 -52.33 63.59 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 124.387 1.055 . . . . 0.56 108.358 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.5 -0.88 . . . . 1.31 110.584 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -63.47 -31.47 72.64 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.206 -1.398 . . . . 1.02 108.915 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.25 -37.64 63.72 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 115.6 -2.44 . . . . 1.71 106.793 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 tp -47.92 -51.24 24.15 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.746 -1.205 . . . . 1.08 107.746 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -49.97 -67.92 0.22 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 112.938 -1.937 . . . . 1.84 110.411 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 1.3 mptp? -63.45 -19.04 64.38 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.312 -1.355 . . . . 1.86 113.941 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.94 -29.28 43.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 104.975 -2.231 . . . . 1.22 104.975 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -68.96 -40.59 78.81 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.653 -1.98 . . . . 1.7 105.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -67.05 -28.39 68.16 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.957 -1.02 . . . . 2.61 109.262 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.08 14.77 11.53 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.264 -0.974 . . . . 1.79 109.317 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.23 18.97 0.66 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 123.952 0.782 . . . . 2.45 111.856 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 85.29 7.06 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 104.486 -2.413 . . . . 0.89 104.486 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' B' ' 33' ' ' GLU . 9.0 p-10 -69.09 -43.91 73.57 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 124.179 0.925 . . . . 2.83 111.355 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 27.2 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.163 -1.415 . . . . 2.15 107.374 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.62 -34.04 68.87 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 117.581 -1.648 . . . . 2.26 109.076 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -58.1 6.75 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.912 -1.515 . . . . 0.65 112.37 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.71 -58.36 8.89 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.79 -1.564 . . . . 1.67 111.381 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 mt -53.03 -33.39 19.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.346 -1.342 . . . . 1.12 110.074 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.62 -50.08 75.26 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.636 -2.026 . . . . 0.7 106.72 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' B' ' 42' ' ' HIS . 46.1 mm-40 -74.71 -13.93 60.67 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 116.63 -2.028 . . . . 2.82 112.009 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.9 m -70.37 -32.11 69.65 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 102.089 -3.3 . . . . 0.77 102.089 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -34.82 64.7 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 105.059 -2.201 . . . . 1.22 105.059 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.559 ' CD2' ' HG3' ' B' ' 16' ' ' ARG . 3.4 t-160 -53.21 -57.74 9.46 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.015 -1.074 . . . . 1.21 109.616 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.52 -53.86 51.11 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.246 -1.382 . . . . 1.86 114.281 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -61.56 -35.73 78.61 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.107 -1.837 . . . . 2.24 110.774 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' B' ' 16' ' ' ARG . . . -70.67 -19.06 62.82 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.226 -1.39 . . . . 0.7 107.581 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -90.27 -20.39 23.01 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.452 -1.684 . . . . 1.45 106.452 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.87 -48.75 77.65 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 104.508 -2.404 . . . . 2.02 104.508 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -52.06 -26.72 11.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 125.448 1.717 . . . . 1.52 108.665 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.426 ' CD2' ' NH1' ' B' ' 13' ' ' ARG . 90.5 t80 -85.59 -77.66 0.29 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.267 -1.373 . . . . 1.4 109.963 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -31.38 -90.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 121.018 3.711 . . . . 2.29 121.018 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -51.03 -41.83 60.06 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.003 0.906 . . . . 2.11 110.928 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 63.4 m -69.38 -29.61 67.41 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 117.08 -1.848 . . . . 2.41 110.223 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.72 -30.73 71.44 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 115.772 -2.371 . . . . 1.58 106.519 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.89 -45.95 1.92 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 125.91 2.006 . . . . 2.0 111.296 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -118.59 -58.08 2.0 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 123.287 1.517 . . . . 3.65 108.156 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' B' ' 5' ' ' GLU . 91.6 t80 . . . . . 0 C--N 1.291 -1.963 1 N-CA-C 96.475 -5.38 . . . . 3.11 96.475 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 108.02 -1.104 . . . . 2.53 108.02 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.29 -33.2 72.01 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 117.125 -1.83 . . . . 3.78 108.4 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 m -65.44 -35.6 81.4 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 106.029 -1.841 . . . . 1.82 106.029 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.55 72.81 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 117.371 -1.732 . . . . 0.87 107.159 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.73 -23.61 66.13 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.154 -1.425 . . . . 2.37 107.154 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 10' ' ' ASN . 1.2 m-80 -63.21 -30.2 71.39 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 117.552 -1.659 . . . . 2.15 108.175 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.403 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 52.1 ttm -63.98 -45.85 87.23 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.041 -1.837 . . . . 2.42 106.041 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.53 73.14 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.639 -1.164 . . . . 0.67 108.498 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.58 -38.15 86.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.86 -1.136 . . . . 3.15 107.974 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 13.2 m-85 -64.84 -36.66 85.05 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.265 -1.374 . . . . 2.71 109.958 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.37 -48.89 85.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 106.93 -1.507 . . . . 0.93 106.93 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 46' ' ' ASP . 9.1 tmm_? -62.79 -37.55 87.15 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.944 -1.48 . . . . 2.68 110.047 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -64.69 -33.57 76.26 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.493 -1.683 . . . . 0.72 107.46 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.07 -35.15 79.79 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.151 -1.796 . . . . 1.8 106.151 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -59.2 -27.06 65.37 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.729 -1.588 . . . . 0.56 109.05 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.76 -45.04 94.56 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.672 -1.973 . . . . 1.31 105.672 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -58.89 -30.38 67.73 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.875 -1.057 . . . . 1.02 109.757 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.52 -34.24 73.98 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 117.09 -1.844 . . . . 1.71 107.735 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.07 97.79 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 117.643 -1.623 . . . . 1.08 107.027 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -52.14 -68.1 0.2 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.964 1.415 . . . . 1.84 110.114 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -54.44 -49.15 70.7 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.846 -1.525 . . . . 1.86 113.189 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.01 -34.93 74.02 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 117.402 -1.719 . . . . 1.22 109.098 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 118.695 -1.202 . . . . 1.7 109.264 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -71.07 -25.0 62.44 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.545 -0.909 . . . . 2.61 108.545 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mp -90.01 15.07 10.71 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.956 -1.02 . . . . 1.79 109.124 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t0 48.3 32.82 3.37 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.994 1.434 . . . . 2.45 108.44 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 63.5 3.93 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 104.812 -2.292 . . . . 0.89 104.812 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -44.05 -58.05 3.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 125.607 1.817 . . . . 2.83 112.033 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 33' ' ' GLU . 1.5 pt-20 -52.9 -54.15 38.92 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.264 -1.374 . . . . 2.15 111.658 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.1 -19.03 65.71 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 116.33 -2.148 . . . . 2.26 110.081 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.06 65.72 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.638 -1.986 . . . . 0.65 105.638 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.78 -51.79 67.57 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.456 1.122 . . . . 1.67 109.456 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.7 mm -57.13 -33.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 113.701 -1.591 . . . . 1.12 107.11 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.68 -32.05 69.16 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 117.759 -1.576 . . . . 0.7 109.374 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.66 -58.77 4.92 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.06 -1.83 . . . . 2.82 106.06 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -53.39 -32.92 51.74 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 113.687 -1.597 . . . . 0.77 110.829 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.67 -36.76 62.8 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.227 -0.989 . . . . 1.22 108.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.51 -47.63 84.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.238 -1.801 . . . . 1.21 107.846 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.79 -55.17 28.87 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.828 -1.078 . . . . 1.86 110.158 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -53.07 -41.46 64.9 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 114.312 -1.313 . . . . 2.24 111.457 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.425 -1.31 . . . . 0.7 108.057 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 29.4 t0 -79.82 -22.78 42.62 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.192 -1.403 . . . . 1.45 107.771 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -69.25 -31.14 69.48 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 116.931 -1.908 . . . . 2.02 107.95 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.53 -31.86 68.33 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.046 -1.835 . . . . 1.52 106.046 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' HD22 ' A' ' 53' ' ' LEU . 91.3 t80 -85.63 -94.39 0.08 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 103.311 -2.848 . . . . 1.4 103.311 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HE ' ' HB2' ' A' ' 50' ' ' ARG . 17.9 ttm180 -2.7 -100.38 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 1 N-CA-C 122.57 4.285 . . . . 2.29 122.57 179.583 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -53.43 -33.24 53.28 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.447 -1.301 . . . . 2.11 110.706 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.7 m -74.92 -33.15 61.95 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 116.188 -2.205 . . . . 2.41 107.613 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD22 ' CZ ' ' A' ' 49' ' ' TYR . 53.5 tp -54.28 -32.96 57.61 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.001 -1.481 . . . . 1.58 107.001 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.488 0 O-C-N 126.595 2.434 . . . . 2.0 110.994 179.88 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 56' ' ' PHE . 4.6 mp0 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 107.583 -1.266 . . . . 2.53 107.583 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.47 -29.76 69.95 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 116.627 -2.029 . . . . 3.78 107.963 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -69.83 -30.69 68.25 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.97 -1.863 . . . . 1.82 105.97 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.53 78.46 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 103.885 -2.635 . . . . 0.87 103.885 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.91 -28.84 65.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.599 -1.63 . . . . 2.37 106.599 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.18 -22.06 65.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.687 -1.605 . . . . 2.15 108.929 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.99 -38.97 83.31 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 105.599 -2.001 . . . . 2.42 105.599 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.59 74.25 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.499 -1.667 . . . . 0.67 106.499 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -64.42 -40.63 96.15 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.124 -1.831 . . . . 3.15 106.59 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -60.84 -38.01 84.04 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.454 -1.699 . . . . 2.71 108.855 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.59 -45.5 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 106.252 -1.758 . . . . 0.93 106.252 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.604 HH21 ' CD2' ' B' ' 42' ' ' HIS . 22.3 ttt180 -58.85 -39.57 81.7 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.164 -1.415 . . . . 2.68 109.172 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.8 m -60.94 -44.97 96.49 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.01 -1.076 . . . . 0.72 110.637 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.27 -42.92 99.17 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 117.335 -1.746 . . . . 1.8 107.504 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 45.3 m -56.35 -32.36 64.63 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.783 -1.099 . . . . 0.56 109.327 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.39 -46.03 81.66 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 117.627 -1.629 . . . . 1.31 107.323 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -54.28 -43.16 70.78 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.455 -1.248 . . . . 1.02 108.696 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.86 -28.45 62.53 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.175 -1.41 . . . . 1.71 109.813 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.65 -54.07 49.74 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.193 -1.41 . . . . 1.08 107.193 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.77 -58.49 7.27 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 112.978 -1.919 . . . . 1.84 111.303 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -58.59 -36.35 73.86 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 117.149 -1.82 . . . . 1.86 113.144 -178.176 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.49 -34.82 79.16 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 116.637 -2.025 . . . . 1.22 105.837 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -61.02 -39.92 91.61 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.562 -1.199 . . . . 1.7 108.329 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -66.08 -26.78 67.64 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 118.886 -1.126 . . . . 2.61 109.504 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.98 22.48 3.18 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.762 -1.175 . . . . 1.79 108.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 52.08 21.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.82 1.325 . . . . 2.45 108.576 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.12 57.53 1.27 Allowed 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.109 -1.811 . . . . 0.89 106.109 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.24 -22.7 65.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.093 -1.412 . . . . 2.83 111.918 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -30.13 61.51 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 116.338 -2.145 . . . . 2.15 106.903 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -76.63 -28.47 56.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 103.767 -2.679 . . . . 2.26 103.767 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.96 71.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.898 -1.889 . . . . 0.65 105.898 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.53 -58.5 7.35 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.768 -1.173 . . . . 1.67 109.543 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.95 -33.33 49.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 CA-C-N 114.061 -1.427 . . . . 1.12 107.777 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.84 -26.23 63.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.576 -1.25 . . . . 0.7 109.744 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.61 -49.89 17.16 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 103.128 -2.915 . . . . 2.82 103.128 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -52.24 -31.54 32.77 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.742 -1.117 . . . . 0.77 108.704 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.82 -43.97 43.39 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.373 -2.084 . . . . 1.22 105.373 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.604 ' CD2' HH21 ' B' ' 16' ' ' ARG . 51.4 t60 -48.67 -54.44 14.74 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.761 -1.563 . . . . 1.21 109.816 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.69 -19.7 22.37 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 116.291 -2.163 . . . . 1.86 113.264 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -48.16 79.05 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.365 -2.134 . . . . 2.24 105.547 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.29 71.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.504 -1.665 . . . . 0.7 106.504 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 29.5 t70 -70.77 -28.22 64.52 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 117.334 -1.747 . . . . 1.45 110.438 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -64.82 -41.78 95.5 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 103.991 -2.596 . . . . 2.02 103.991 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.38 -24.73 67.3 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.14 -1.391 . . . . 1.52 107.446 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.445 ' CZ ' HD22 ' B' ' 53' ' ' LEU . 54.0 t80 -91.09 -92.25 0.14 Allowed 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.446 -1.302 . . . . 1.4 107.779 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -27.94 -75.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 117.002 2.223 . . . . 2.29 117.002 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -47.29 -55.66 8.29 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.455 1.121 . . . . 2.11 110.043 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 96.5 m -65.42 -27.79 68.79 Favored 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 119.06 -1.056 . . . . 2.41 110.145 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' B' ' 49' ' ' TYR . 18.6 tp -61.75 -27.65 68.88 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 107.153 -1.425 . . . . 1.58 107.153 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.94 -68.74 0.16 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 126.331 2.269 . . . . 2.0 110.474 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.538 ' CZ ' ' HB2' ' B' ' 55' ' ' ARG . 13.5 ttm105 -93.4 -56.71 2.83 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.067 -1.878 . . . . 3.65 107.195 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 5' ' ' GLU . 35.2 t80 . . . . . 0 C--N 1.292 -1.931 0 CA-C-N 109.115 -3.675 . . . . 3.11 101.638 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.8 mpp? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.787 -0.149 . . . . 5.37 110.962 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.495 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 31.2 m 66.08 11.97 8.16 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.66 0.743 . . . . 4.02 109.689 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -89.98 -104.84 0.09 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.966 -1.016 . . . . 4.95 110.445 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.548 ' CD ' ' H ' ' A' ' 4' ' ' GLN . 2.3 pm0 -60.15 -28.64 68.08 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.457 0.646 . . . . 4.09 110.84 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 1.2 pm0 -57.45 -40.47 78.51 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 114.246 -1.343 . . . . 2.53 107.966 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HD2' ' HA ' ' A' ' 2' ' ' THR . 0.0 OUTLIER -76.54 -27.39 55.93 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.824 -1.551 . . . . 3.78 108.565 -179.557 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.9 m -61.82 -48.16 81.85 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 117.12 -1.832 . . . . 1.82 108.17 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.0 99.4 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 118.049 -1.461 . . . . 0.87 108.01 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.834 -1.53 . . . . 2.37 108.761 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -78.07 -33.05 51.01 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.097 -1.041 . . . . 2.15 108.529 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.2 mmm -65.42 -49.6 68.6 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.706 -1.598 . . . . 2.42 109.535 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.02 97.8 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 117.754 -1.579 . . . . 0.67 109.097 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 31.2 ttp180 -64.52 -32.67 74.41 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.455 -1.298 . . . . 3.15 108.765 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.37 -43.44 70.13 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 118.796 -1.161 . . . . 2.71 110.391 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.4 mt -60.72 -36.76 73.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 C-N-CA 117.406 -1.718 . . . . 0.93 108.335 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.89 -45.18 90.88 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 116.909 -1.916 . . . . 2.68 106.597 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -59.17 -43.31 92.11 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 118.725 -1.19 . . . . 0.72 110.327 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -61.15 -39.52 90.4 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 117.457 -1.697 . . . . 1.8 108.327 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -65.34 -30.71 71.58 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.636 -1.226 . . . . 0.56 109.313 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.1 -58.05 5.1 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.986 -2.227 . . . . 1.31 104.986 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -59.38 -20.9 58.44 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.849 -1.14 . . . . 1.02 109.956 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -73.61 -44.71 56.38 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.372 -2.085 . . . . 1.71 105.372 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.7 -49.81 46.3 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.965 -1.865 . . . . 1.08 105.965 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.4 -65.52 0.54 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.402 -1.272 . . . . 1.84 112.175 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HG2' ' HZ2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -53.67 -35.01 60.6 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.19 -1.368 . . . . 1.86 111.824 -177.543 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.48 -39.74 85.24 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.812 -1.555 . . . . 1.22 107.765 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.19 -28.52 69.44 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.344 -1.743 . . . . 1.7 108.704 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -63.55 -40.55 97.3 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 117.775 -1.57 . . . . 2.61 107.53 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.01 32.98 0.88 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 114.721 -1.127 . . . . 1.79 111.5 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 38.85 37.96 0.24 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 124.941 1.401 . . . . 2.45 110.461 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.2 63.81 5.1 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.047 -1.094 . . . . 0.89 108.047 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.4 p-10 -50.5 -44.9 56.15 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 125.654 1.846 . . . . 2.83 107.749 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 8.2 tt0 -52.77 -68.46 0.17 Allowed 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 112.027 -2.351 . . . . 2.15 109.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' B' ' 52' ' ' CYS . 55.7 mt-30 -58.11 -23.22 54.14 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 113.07 -1.877 . . . . 2.26 109.693 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.22 70.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.738 -1.585 . . . . 0.65 108.21 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.25 -54.63 43.53 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.086 -1.846 . . . . 1.67 108.828 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -54.24 -33.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 112.335 -2.211 . . . . 1.12 108.536 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 t -69.41 -38.19 77.81 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.337 -1.345 . . . . 0.7 110.163 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.13 -35.33 76.27 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 117.247 -1.781 . . . . 2.82 107.867 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -64.65 -32.68 74.45 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 117.444 -1.703 . . . . 0.77 106.698 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.47 -32.9 64.58 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.623 -1.251 . . . . 1.22 107.623 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.75 -49.64 76.7 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.777 -1.556 . . . . 1.21 107.349 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.8 -51.02 69.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.659 -1.216 . . . . 1.86 109.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -22.69 66.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 117.99 -1.484 . . . . 2.24 110.981 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.22 -33.5 69.94 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 102.591 -3.114 . . . . 0.7 102.591 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HB3' HH21 ' A' ' 50' ' ' ARG . 23.8 t0 -75.91 -33.18 59.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.28 -1.768 . . . . 1.45 106.985 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' N ' HH21 ' A' ' 50' ' ' ARG . 69.1 mm-40 -54.83 -38.53 67.53 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 117.488 -1.685 . . . . 2.02 106.743 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -48.36 66.0 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 117.064 -1.855 . . . . 1.52 107.604 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 85.7 t80 -58.01 -61.41 2.56 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.579 1.326 . . . . 1.4 114.579 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.425 HH21 ' N ' ' A' ' 47' ' ' GLU . 6.3 ptp180 -51.35 -39.94 58.1 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.966 -0.753 . . . . 2.29 108.966 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.6 m -69.96 -31.93 69.91 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.667 -1.613 . . . . 2.11 108.794 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 70.9 m -68.71 -22.7 64.33 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.368 -2.086 . . . . 2.41 105.368 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.4 -23.57 27.89 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 105.454 -2.054 . . . . 1.58 105.454 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.24 88.82 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 117.237 -1.785 . . . . 2.0 107.231 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' CZ ' ' O ' ' B' ' 30' ' ' ASP . 24.8 ttm-85 -89.71 -59.22 2.26 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.748 -1.181 . . . . 3.65 110.005 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 58' ' ' ASP . 41.8 m-85 -82.75 29.24 0.46 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.159 -0.928 . . . . 3.11 111.077 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.9 25.96 1.46 Allowed Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.289 -1.434 . . . . 4.85 111.951 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 56' ' ' PHE . 5.6 p-10 -86.19 21.12 2.11 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.701 -1.222 . . . . 7.19 107.701 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.19 91.15 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.308 -0.997 . . . . 8.62 108.308 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.25 -20.45 0.04 OUTLIER Glycine 0 C--N 1.297 -1.62 0 C-N-CA 117.209 -2.424 . . . . 9.74 109.684 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.63 -26.14 67.68 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 117.464 -1.695 . . . . 10.96 106.547 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -83.32 121.89 27.73 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.974 -2.232 . . . . 12.6 104.974 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 C--N 1.299 -1.608 0 N-CA-C 102.271 -3.233 . . . . 12.96 102.271 179.492 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mmt . . . . . 0 C--O 1.214 -0.8 0 N-CA-C 106.337 -1.727 . . . . 5.37 106.337 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.1 m -56.32 144.85 28.87 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.678 -1.601 . . . . 4.02 106.678 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -18.86 37.77 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.926 -1.51 . . . . 4.95 111.706 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -70.61 -40.72 73.0 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 116.966 -1.894 . . . . 4.09 106.776 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.6 -45.72 91.09 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.801 -1.926 . . . . 2.53 105.801 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.452 ' HZ3' ' HB2' ' B' ' 6' ' ' LYS . 0.1 OUTLIER -59.27 -39.28 82.39 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.009 -1.45 . . . . 3.78 110.944 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -69.08 -40.98 78.13 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 117.314 -1.754 . . . . 1.82 109.112 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' HE3' ' B' ' 11' ' ' MET . . . -60.43 -50.79 72.18 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 118.989 -1.084 . . . . 0.87 109.107 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.48 -48.44 71.8 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 112.765 -2.016 . . . . 2.37 108.335 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -62.66 -32.81 73.93 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 113.864 -1.517 . . . . 2.15 112.853 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' MET . . . . . 0.405 ' HE3' ' HA ' ' B' ' 8' ' ' ALA . 77.5 mtm -72.1 -34.15 68.4 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 116.23 -2.188 . . . . 2.42 108.496 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.46 48.59 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 117.426 -1.71 . . . . 0.67 106.954 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.418 HH12 ' CD ' ' B' ' 61' ' ' GLU . 36.6 ttm180 -57.92 -30.99 66.38 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.877 -1.965 . . . . 3.15 108.022 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.65 -53.01 38.57 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 118.105 -1.438 . . . . 2.71 109.951 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.77 -32.38 46.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 118.441 -1.303 . . . . 0.93 109.699 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' B' ' 42' ' ' HIS . 57.1 ttt85 -60.96 -59.31 5.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 116.285 -2.166 . . . . 2.68 108.854 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.4 m -59.17 -40.97 87.31 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.147 -0.933 . . . . 0.72 111.948 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -55.29 -57.79 10.38 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.93 -1.137 . . . . 1.8 107.93 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -58.7 -28.27 65.63 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.067 -1.424 . . . . 0.56 110.376 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.46 -55.34 28.57 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.021 -2.214 . . . . 1.31 105.021 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.8 m -57.6 -25.19 59.7 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.18 -1.373 . . . . 1.02 110.192 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' B' ' 26' ' ' LEU . 87.8 mt -80.9 -30.23 35.46 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 116.366 -2.134 . . . . 1.71 108.763 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.424 HD23 ' C ' ' B' ' 23' ' ' LEU . 7.9 tt -62.11 -57.38 11.79 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.344 -1.743 . . . . 1.08 107.235 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.16 -61.1 2.89 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 117.828 -1.549 . . . . 1.84 112.51 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' B' ' 24' ' ' GLU . 13.0 mmtm -56.02 -37.03 68.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.853 -1.139 . . . . 1.86 114.069 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 22' ' ' LEU . 9.9 mp -73.03 -29.83 63.3 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 116.011 -2.276 . . . . 1.22 107.676 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.32 -46.07 90.37 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.787 -1.931 . . . . 1.7 105.787 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.419 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 45.5 mt-10 -66.22 -27.78 68.24 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 113.197 -1.819 . . . . 2.61 110.026 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 25.5 tp -89.91 20.02 4.46 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.293 -1.373 . . . . 1.79 107.293 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.406 ' O ' ' CZ ' ' A' ' 55' ' ' ARG . 18.9 t0 51.64 74.57 0.25 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.683 -1.228 . . . . 2.45 107.683 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.28 51.66 0.25 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 101.934 -3.358 . . . . 0.89 101.934 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.25 -35.14 74.81 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 112.821 -1.991 . . . . 2.83 110.87 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.9 mp0 -58.02 -45.26 87.19 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.47 -1.678 . . . . 2.15 106.47 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.425 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mp0 -65.22 -32.65 74.43 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.463 -2.095 . . . . 2.26 108.21 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.44 96.42 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.447 -1.301 . . . . 0.65 109.265 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -57.2 -57.82 10.94 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.544 1.164 . . . . 1.67 109.131 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.16 -30.28 45.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 113.26 -1.791 . . . . 1.12 109.275 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 87.8 m -67.37 -28.45 67.95 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.665 -1.614 . . . . 0.7 108.191 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 24.2 tt0 -72.01 -40.9 68.15 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.901 -1.52 . . . . 2.82 108.014 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -36.15 77.0 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 116.446 -2.102 . . . . 0.77 108.879 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.71 -33.43 72.49 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.957 -1.474 . . . . 1.22 108.039 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.467 ' HD2' ' O ' ' B' ' 16' ' ' ARG . 20.5 t-80 -53.23 -59.0 5.13 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.102 -1.863 . . . . 1.21 109.355 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.407 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 28.7 t70 -80.7 -23.42 39.54 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 116.128 -2.229 . . . . 1.86 112.083 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.77 -30.94 71.28 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 116.237 -2.185 . . . . 2.24 105.849 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.51 81.22 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 104.962 -2.236 . . . . 0.7 104.962 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 37.2 t70 -65.41 -23.22 66.9 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.176 -1.829 . . . . 1.45 108.706 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -58.3 -34.0 70.08 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 117.364 -1.734 . . . . 2.02 108.301 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 48' ' ' LEU . 3.6 mm? -69.85 -36.12 75.29 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.052 -1.859 . . . . 1.52 107.347 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -51.63 66.92 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 106.63 -1.619 . . . . 1.4 106.63 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -53.79 -57.32 11.33 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.293 -0.563 . . . . 2.29 110.494 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -59.28 -31.72 69.37 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.434 -0.907 . . . . 2.11 111.04 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.407 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 96.5 m -74.74 -28.9 60.96 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.711 -1.596 . . . . 2.41 108.108 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 tp -75.6 -23.19 56.43 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 105.371 -2.085 . . . . 1.58 105.371 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.84 -62.82 1.57 Allowed 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.705 -1.598 . . . . 2.0 109.713 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 34' ' ' GLN . 7.6 tpp85 -58.42 -42.19 86.7 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.587 -1.188 . . . . 3.65 111.39 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -97.73 -48.78 5.08 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.493 -1.283 . . . . 3.11 113.073 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.89 27.08 73.72 Favored Glycine 0 N--CA 1.483 1.787 0 N-CA-C 104.584 -3.406 . . . . 4.85 104.584 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -106.11 126.68 52.5 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 106.928 -1.508 . . . . 7.19 106.928 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -149.87 -176.35 5.39 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 100.415 -3.92 . . . . 8.62 100.415 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.66 72.14 0.32 Allowed Glycine 0 N--CA 1.483 1.771 0 N-CA-C 105.243 -3.143 . . . . 9.74 105.243 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.418 ' CD ' HH12 ' B' ' 13' ' ' ARG . 19.7 mm-40 -84.01 89.26 7.22 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.648 -1.242 . . . . 10.96 107.648 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -155.15 173.38 16.68 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 105.523 -2.028 . . . . 12.6 105.523 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.427 ' N ' HD22 ' B' ' 63' ' ' LEU . 2.7 mm? . . . . . 0 C--N 1.3 -1.555 0 N-CA-C 100.498 -3.89 . . . . 12.96 100.498 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.43 ' H3 ' ' CD ' ' A' ' 5' ' ' GLU . 61.3 mtm . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 105.331 -2.1 . . . . 5.37 105.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 157.95 20.64 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 104.199 -2.519 . . . . 4.02 104.199 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 2.3 mptp? -89.97 -20.16 23.63 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 105.178 -2.156 . . . . 4.95 105.178 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -64.93 -15.85 62.61 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 113.932 -1.485 . . . . 4.09 108.52 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 82.0 mt-10 -60.24 -39.39 86.55 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.8 -1.556 . . . . 2.53 106.8 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HZ3' ' HG3' ' A' ' 6' ' ' LYS . 14.9 mtmm -69.7 -20.54 63.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.987 -1.085 . . . . 3.78 109.98 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.7 m -72.57 -46.86 52.29 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 104.268 -2.493 . . . . 1.82 104.268 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.07 79.17 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.308 -0.957 . . . . 0.87 109.091 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -58.13 -51.1 71.13 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.111 -1.811 . . . . 2.37 106.111 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -61.16 -35.49 77.24 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 113.683 -1.599 . . . . 2.15 111.552 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 33.8 mtm -63.77 -42.02 97.86 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 117.316 -1.754 . . . . 2.42 109.261 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.41 88.46 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.282 -1.367 . . . . 0.67 108.879 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.619 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -63.95 -38.99 93.11 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.314 -1.755 . . . . 3.15 108.901 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.59 -32.74 74.3 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.901 -1.919 . . . . 2.71 109.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -61.38 -43.62 97.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.492 -2.04 . . . . 0.93 105.492 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 19.6 ttt180 -60.54 -40.83 92.95 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 117.673 -1.611 . . . . 2.68 109.352 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 m -59.28 -48.95 79.72 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.083 -1.047 . . . . 0.72 110.438 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.96 -44.43 94.43 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.954 -1.098 . . . . 1.8 108.742 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -58.26 -29.48 65.83 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.449 -1.301 . . . . 0.56 109.804 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -46.56 82.9 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.043 -2.206 . . . . 1.31 105.043 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -59.15 -37.1 76.49 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.142 -1.423 . . . . 1.02 108.703 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.88 -28.31 65.54 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.292 -1.763 . . . . 1.71 109.092 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.17 -48.28 82.21 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.688 -2.338 . . . . 1.08 104.688 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -65.1 0.74 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 112.994 -1.912 . . . . 1.84 111.111 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HZ2' ' N ' ' A' ' 25' ' ' LYS . 7.0 mmtm -48.5 -48.8 37.86 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.093 -0.958 . . . . 1.86 112.978 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -60.11 -37.95 81.54 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 117.311 -1.755 . . . . 1.22 107.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -62.02 -40.87 97.19 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.025 -1.07 . . . . 1.7 109.4 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 30' ' ' ASP . 94.4 mt-10 -61.52 -36.55 80.85 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.859 0.838 . . . . 2.61 108.9 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' ALA . 21.5 mt -87.91 31.46 0.78 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.87 -1.514 . . . . 1.79 107.627 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 28' ' ' GLU . 4.0 p-10 41.56 14.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 126.514 2.384 . . . . 2.45 112.129 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' LEU . . . -88.54 56.23 3.7 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 104.284 -2.487 . . . . 0.89 104.284 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.83 -31.83 71.94 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.752 -1.179 . . . . 2.83 110.386 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 115.5 -2.48 . . . . 2.15 105.78 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.455 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 98.8 mm-40 -72.95 -29.01 62.76 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 116.552 -2.059 . . . . 2.26 105.638 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.5 71.42 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.108 -1.812 . . . . 0.65 106.108 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.82 -50.63 71.52 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.884 -1.526 . . . . 1.67 107.41 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.88 -33.23 45.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 113.82 -1.536 . . . . 1.12 107.03 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.9 t -73.23 -27.16 61.45 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.457 -1.297 . . . . 0.7 110.598 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -76.02 -40.67 53.03 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.589 -2.375 . . . . 2.82 104.589 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.8 m -59.28 -32.72 70.28 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.571 -2.011 . . . . 0.77 105.571 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -73.82 -35.34 64.85 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.922 -1.51 . . . . 1.22 106.922 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 36.8 t60 -57.44 -58.87 6.39 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.009 -1.45 . . . . 1.21 110.145 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.41 -25.16 39.17 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 116.412 -2.115 . . . . 1.86 112.18 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.86 -35.28 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.754 -2.313 . . . . 2.24 104.754 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.1 80.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.347 -2.094 . . . . 0.7 105.347 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 7.0 t70 -69.41 -22.06 63.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.02 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CD ' ' NH2' ' A' ' 50' ' ' ARG . 18.4 mm-40 -63.62 -42.43 98.18 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 105.05 -2.204 . . . . 2.02 105.05 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.84 -40.97 90.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 105.745 -1.946 . . . . 1.52 105.745 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.619 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 30.4 t80 -61.08 -40.18 92.71 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.468 -0.893 . . . . 1.4 110.993 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' NH2' ' CD ' ' A' ' 47' ' ' GLU . 43.4 mtm-85 -68.08 -61.32 1.91 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.706 -0.797 . . . . 2.29 110.135 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 m -54.28 -33.44 58.65 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 114.621 -1.172 . . . . 2.11 109.753 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.1 m -66.29 -49.52 66.8 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 117.202 -1.799 . . . . 2.41 107.911 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.11 -40.88 33.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 118.905 -1.118 . . . . 1.58 110.401 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.11 -61.04 2.29 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.824 -1.15 . . . . 2.0 110.687 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -79.25 -58.76 3.06 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 117.581 -1.648 . . . . 3.65 110.785 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' GLY . 8.2 m-30 -50.59 -8.29 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 116.066 1.876 . . . . 3.11 116.066 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' PHE . . . -48.14 -42.33 23.96 Favored Glycine 0 N--CA 1.492 2.414 1 N-CA-C 102.6 -4.2 . . . . 4.85 102.6 177.374 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 154.5 75.83 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.638 1 N-CA-C 98.435 -4.654 . . . . 7.19 98.435 177.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -36.96 139.55 0.2 Allowed 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 112.027 -2.351 . . . . 8.62 114.349 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -163.84 -54.92 0.02 OUTLIER Glycine 0 C--N 1.293 -1.828 1 N-CA-C 99.319 -5.512 . . . . 9.74 99.319 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -85.3 73.99 10.48 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 101.669 -3.456 . . . . 10.96 101.669 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -64.13 109.28 1.79 Allowed 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 118.893 -1.123 . . . . 12.6 110.601 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.302 -1.468 0 CA-C-O 114.267 -2.778 . . . . 12.96 103.834 179.654 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.486 ' H1 ' ' C ' ' B' ' 58' ' ' ASP . 59.4 mtp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 105.674 -1.973 . . . . 5.37 105.674 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.2 m -75.83 168.63 19.67 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.258 -2.127 . . . . 4.02 105.258 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -90.05 -37.37 14.32 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.944 -1.873 . . . . 4.95 105.944 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.53 -44.22 8.55 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 126.155 2.16 . . . . 4.09 110.111 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.9 -46.03 78.49 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 118.231 -1.388 . . . . 2.53 110.923 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -74.42 -21.46 59.61 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.384 -1.726 . . . . 3.78 107.497 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 m -66.53 -61.97 1.71 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 117.473 -1.691 . . . . 1.82 106.892 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.89 -39.25 53.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.495 -0.775 . . . . 0.87 109.791 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' CE1' ' B' ' 49' ' ' TYR . 33.3 tp -57.84 -57.35 13.17 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.666 -1.214 . . . . 2.37 108.811 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -61.77 -25.91 67.76 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.594 -1.243 . . . . 2.15 110.666 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 89.3 mmm -71.11 -38.04 72.36 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.745 -1.582 . . . . 2.42 108.942 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.7 87.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.586 -1.635 . . . . 0.67 106.586 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -58.31 -41.42 84.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.584 -1.644 . . . . 3.15 109.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -61.05 -48.68 80.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.236 -1.386 . . . . 2.71 110.163 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.9 mt -56.38 -37.69 52.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.926 -1.034 . . . . 0.93 108.996 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' B' ' 46' ' ' ASP . 34.5 ttt180 -58.38 -51.07 71.38 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 116.861 -1.935 . . . . 2.68 107.924 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -51.16 -44.12 61.4 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.989 -1.005 . . . . 0.72 110.565 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.28 -50.09 74.84 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.284 -1.367 . . . . 1.8 109.208 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -54.49 -31.08 55.24 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 113.925 -1.488 . . . . 0.56 110.182 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.37 -54.79 27.31 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.731 -1.952 . . . . 1.31 105.731 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -50.1 -37.18 32.69 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.564 -1.653 . . . . 1.02 110.454 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.72 -41.28 60.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 116.817 -1.953 . . . . 1.71 109.892 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.44 -50.92 58.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.622 -1.621 . . . . 1.08 106.622 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.48 -59.42 4.61 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.033 -1.894 . . . . 1.84 107.719 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HE2' ' N ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.81 -18.82 46.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.654 -1.219 . . . . 1.86 112.552 -178.536 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 mt -78.4 -34.43 48.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.949 -1.871 . . . . 1.22 105.949 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -64.1 -41.06 97.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.056 -1.831 . . . . 1.7 106.056 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.442 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 93.0 mt-10 -63.2 -44.21 95.99 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.481 -1.236 . . . . 2.61 109.91 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' ALA . 87.6 mt -89.97 42.44 1.09 Allowed 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.518 -0.873 . . . . 1.79 109.378 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 34.63 16.62 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 127.454 2.971 . . . . 2.45 115.59 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.62 58.11 3.43 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 104.936 -2.246 . . . . 0.89 104.936 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.96 -35.79 81.83 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 118.534 -1.266 . . . . 2.83 110.701 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 0.5 OUTLIER -62.49 -33.91 75.8 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 116.214 -2.194 . . . . 2.15 106.765 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -76.17 -23.4 54.74 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 116.698 -2.001 . . . . 2.26 107.466 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.71 87.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 105.704 -1.961 . . . . 0.65 105.704 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.85 -56.47 20.85 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.601 1.191 . . . . 1.67 108.448 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.3 -30.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.995 -1.911 . . . . 1.12 108.139 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.05 -36.69 69.67 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.195 -1.402 . . . . 0.7 109.282 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 19.8 tp10 -65.58 -44.46 86.59 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 117.911 -1.516 . . . . 2.82 107.511 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' B' ' 44' ' ' HIS . 16.6 m -51.54 -48.33 63.09 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 117.2 -1.8 . . . . 0.77 107.66 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.12 -37.29 84.56 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.511 -1.276 . . . . 1.22 109.121 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.52 ' CE1' ' HG2' ' B' ' 16' ' ' ARG . 46.4 t60 -55.78 -59.28 5.09 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.101 -1.409 . . . . 1.21 108.437 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' B' ' 16' ' ' ARG . 20.4 t70 -72.03 -27.36 62.66 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 116.957 -1.897 . . . . 1.86 112.271 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' B' ' 40' ' ' SER . 2.9 m-70 -61.62 -33.69 74.36 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.754 -1.978 . . . . 2.24 107.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.51 79.32 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.482 -1.687 . . . . 0.7 106.907 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.546 ' HB2' ' HD2' ' B' ' 16' ' ' ARG . 50.0 t0 -68.44 -29.34 67.97 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 114.553 -1.203 . . . . 1.45 107.929 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.28 -39.0 88.8 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 117.425 -1.71 . . . . 2.02 106.658 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.38 -39.05 91.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 116.856 -1.938 . . . . 1.52 105.987 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.45 ' CE1' ' HG ' ' B' ' 9' ' ' LEU . 27.3 t80 -61.05 -27.23 68.19 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.162 -1.415 . . . . 1.4 108.992 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.414 HH11 ' CG ' ' B' ' 46' ' ' ASP . 20.6 mtm180 -91.16 -75.61 0.47 Allowed 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.488 -0.885 . . . . 2.29 110.233 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -50.07 -39.07 41.11 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.759 -0.776 . . . . 2.11 112.994 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 34' ' ' GLN . 51.2 m -71.54 -32.21 67.89 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 115.689 -2.404 . . . . 2.41 108.573 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -59.68 -34.91 73.48 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 117.13 -1.828 . . . . 1.58 106.166 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.19 83.64 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.119 -1.832 . . . . 2.0 107.959 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.566 HH11 ' ND2' ' B' ' 62' ' ' ASN . 14.2 mmm180 -69.77 -9.42 54.5 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.137 -1.025 . . . . 3.65 110.406 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -103.01 -60.97 1.47 Allowed 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 117.741 -1.584 . . . . 3.11 112.033 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.84 -128.46 34.7 Favored Glycine 0 N--CA 1.479 1.559 1 N-CA-C 98.103 -5.999 . . . . 4.85 98.103 -177.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.486 ' C ' ' H1 ' ' B' ' 1' ' ' MET . 7.2 t70 -136.02 47.53 2.23 Favored 'General case' 0 C--N 1.299 -1.626 1 N-CA-C 98.512 -4.625 . . . . 7.19 98.512 177.767 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.71 -59.77 1.88 Allowed 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 102.539 -3.134 . . . . 8.62 102.539 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.84 -77.93 2.06 Favored Glycine 0 C--N 1.301 -1.398 0 N-CA-C 103.854 -3.698 . . . . 9.74 103.854 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -82.75 75.32 9.66 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 103.302 -2.851 . . . . 10.96 103.302 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASN . . . . . 0.566 ' ND2' HH11 ' B' ' 55' ' ' ARG . 32.4 p-10 -93.54 -135.32 0.17 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.203 -1.406 . . . . 12.6 107.203 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.475 ' C ' HH12 ' B' ' 55' ' ' ARG . 3.7 pp . . . . . 0 C--N 1.302 -1.494 0 N-CA-C 104.866 -2.272 . . . . 12.96 104.866 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.454 ' H1 ' ' HB3' ' A' ' 59' ' ' ASP . 68.5 mmm . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 106.313 -1.736 . . . . 5.37 106.313 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -52.85 154.98 2.54 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.085 -1.046 . . . . 4.02 108.522 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -58.74 -35.92 73.5 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 105.41 -2.07 . . . . 4.95 105.41 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -61.24 -49.89 75.26 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.136 -1.847 . . . . 4.09 108.42 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 90.2 mt-10 -56.75 -41.02 76.83 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.25 -0.98 . . . . 2.53 110.587 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -57.86 -43.34 85.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.371 -1.344 . . . . 3.78 107.371 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -66.79 -41.01 88.31 Favored 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 117.827 -1.549 . . . . 1.82 110.195 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.9 -31.87 73.31 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.708 -1.197 . . . . 0.87 108.444 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.544 ' HG ' ' CE2' ' A' ' 49' ' ' TYR . 30.2 tp -66.08 -39.85 90.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.959 -2.237 . . . . 2.37 104.959 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -67.64 -35.3 78.65 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 118.327 -1.349 . . . . 2.15 108.326 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.9 mmm -64.55 -39.06 93.06 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.053 -1.459 . . . . 2.42 109.138 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.26 90.5 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.902 -1.519 . . . . 0.67 107.669 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 18.2 tpp85 -65.65 -25.27 67.28 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 114.156 -1.384 . . . . 3.15 107.608 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.8 -38.24 76.56 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.248 -1.781 . . . . 2.71 107.189 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.0 mm -61.92 -41.61 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 117.814 -1.554 . . . . 0.93 106.852 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 28.3 ttm-85 -55.08 -50.7 68.5 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.2 -1.4 . . . . 2.68 107.98 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -65.91 -27.82 68.47 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.311 -1.313 . . . . 0.72 112.972 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.44 -49.44 59.9 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 102.787 -3.042 . . . . 1.8 102.787 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.416 HG22 ' SG ' ' A' ' 38' ' ' CYS . 31.4 m -56.06 -26.12 47.91 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 113.663 -1.608 . . . . 0.56 109.636 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -73.7 -47.54 38.77 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 117.084 -1.846 . . . . 1.31 107.198 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -56.07 -38.52 70.76 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.903 -1.147 . . . . 1.02 107.903 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -66.05 -48.26 71.63 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 118.306 -1.358 . . . . 1.71 107.623 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -44.71 -49.94 10.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 124.851 1.345 . . . . 1.08 108.505 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.89 -59.67 4.32 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 113.63 -1.623 . . . . 1.84 107.88 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 4.7 mmtm -57.44 -26.1 60.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.583 -1.189 . . . . 1.86 111.936 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.83 -33.65 64.24 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 117.357 -1.737 . . . . 1.22 107.691 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.6 -43.11 81.27 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 117.318 -1.753 . . . . 1.7 107.839 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' CD ' ' HZ2' ' A' ' 25' ' ' LYS . 82.3 mt-10 -61.19 -44.7 96.87 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.567 -1.197 . . . . 2.61 112.337 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.97 29.31 1.22 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.422 -1.311 . . . . 1.79 114.258 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 48.03 70.33 0.45 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.984 1.428 . . . . 2.45 108.419 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.34 52.94 1.34 Allowed 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 104.544 -2.391 . . . . 0.89 104.544 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -61.89 -51.04 69.79 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.107 -1.861 . . . . 2.83 111.786 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.68 -43.82 65.82 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 123.761 1.743 . . . . 2.15 108.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' CD ' ' H ' ' A' ' 34' ' ' GLN . 21.2 mp0 -62.11 -33.65 74.86 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 112.103 -2.317 . . . . 2.26 108.038 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.72 72.24 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.486 -1.286 . . . . 0.65 108.638 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.69 -49.18 62.92 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 118.743 -1.183 . . . . 1.67 110.662 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.03 -35.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 C-N-CA 117.891 -1.524 . . . . 1.12 107.598 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 19' ' ' THR . 34.8 t -65.18 -27.73 68.9 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.555 -1.258 . . . . 0.7 109.538 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' HIS . 7.9 mm-40 -71.75 -40.12 69.57 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.473 -1.677 . . . . 2.82 106.473 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -60.11 -34.18 73.15 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 117.798 -1.561 . . . . 0.77 107.434 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -74.72 -36.1 62.68 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.836 -1.145 . . . . 1.22 108.06 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 47.5 t-80 -53.31 -49.69 66.49 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.341 -1.754 . . . . 1.21 109.844 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 18.6 t70 -87.33 -28.11 22.44 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 117.011 -1.876 . . . . 1.86 112.271 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -70.65 -17.92 62.86 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 116.71 -1.996 . . . . 2.24 106.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.35 62.86 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 104.728 -2.323 . . . . 0.7 104.728 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 7.9 t70 -75.58 -6.57 50.98 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 112.993 -1.912 . . . . 1.45 108.952 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CD ' HH11 ' A' ' 50' ' ' ARG . 5.9 tp10 -65.41 -39.93 92.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 101.793 -3.41 . . . . 2.02 101.793 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 84.9 mt -72.17 5.32 2.86 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 114.521 -1.218 . . . . 1.52 110.247 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE2' ' HG ' ' A' ' 9' ' ' LEU . 43.5 t80 -104.29 -58.71 1.84 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 105.026 -2.213 . . . . 1.4 105.026 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.409 HH11 ' CD ' ' A' ' 47' ' ' GLU . 8.9 ptp180 -65.03 -53.24 48.99 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 2.29 111.175 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -60.18 -39.41 86.39 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.769 -1.172 . . . . 2.11 110.15 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.527 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 87.1 m -69.41 -33.58 73.2 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 116.339 -2.144 . . . . 2.41 108.868 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.55 -27.27 69.05 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.684 -1.599 . . . . 1.58 106.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.7 -58.49 6.72 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 116.741 -1.983 . . . . 2.0 109.287 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.542 HH22 ' C ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -68.37 -28.28 66.98 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 116.537 -2.065 . . . . 3.65 110.851 -177.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 52' ' ' CYS . 19.8 m-30 -69.58 -28.27 65.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 104.915 -2.254 . . . . 3.11 104.915 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.8 -55.53 19.32 Favored Glycine 0 C--N 1.297 -1.607 0 N-CA-C 105.511 -3.036 . . . . 4.85 105.511 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -86.77 48.28 1.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 109.36 -0.608 . . . . 7.19 109.36 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB3' ' H1 ' ' A' ' 1' ' ' MET . 5.3 t70 -107.77 154.77 21.04 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.641 -1.244 . . . . 8.62 107.641 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.0 39.44 2.79 Favored Glycine 0 C--N 1.298 -1.541 0 N-CA-C 106.948 -2.461 . . . . 9.74 106.948 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 46.97 46.69 15.83 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 125.233 1.196 . . . . 10.96 109.174 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -153.84 -59.21 0.13 Allowed 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 117.204 -1.798 . . . . 12.6 109.545 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.542 ' C ' HH22 ' A' ' 55' ' ' ARG . 3.3 pp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 116.659 -1.639 . . . . 12.96 107.649 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.482 ' H2 ' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 108.488 -0.93 . . . . 5.37 108.488 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.43 HG23 ' N ' ' B' ' 3' ' ' LYS . 9.7 t -177.73 -145.38 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 103.375 -2.824 . . . . 4.02 103.375 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.43 ' N ' HG23 ' B' ' 2' ' ' THR . 31.7 mmtm -69.44 -0.7 6.86 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.527 -0.869 . . . . 4.95 112.109 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -63.98 -43.73 94.84 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 106.21 -1.774 . . . . 4.09 106.21 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.482 ' CD ' ' H2 ' ' B' ' 1' ' ' MET . 1.6 mp0 -57.46 -42.77 83.2 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 113.98 -1.463 . . . . 2.53 109.678 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -38.08 80.28 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.17 -1.412 . . . . 3.78 108.049 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -67.03 -54.73 18.85 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 117.407 -1.717 . . . . 1.82 109.421 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.09 72.09 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.565 -0.854 . . . . 0.87 111.612 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' B' ' 49' ' ' TYR . 56.9 tp -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 105.974 -1.862 . . . . 2.37 105.974 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -67.17 -25.74 66.3 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 112.863 -1.971 . . . . 2.15 110.857 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.6 mmm -71.99 -38.48 69.67 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 117.854 -1.538 . . . . 2.42 109.378 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.5 90.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 105.882 -1.895 . . . . 0.67 105.882 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.447 HH22 ' HA ' ' B' ' 14' ' ' PHE . 9.3 ttp85 -64.72 -25.89 68.13 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.712 -1.586 . . . . 3.15 106.849 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.447 ' HA ' HH22 ' B' ' 13' ' ' ARG . 56.7 t80 -72.54 -33.64 67.0 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.342 -1.743 . . . . 2.71 107.764 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.73 -39.55 85.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 103.94 -2.615 . . . . 0.93 103.94 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.499 HH21 ' CG ' ' B' ' 42' ' ' HIS . 56.9 mtp85 -61.85 -36.22 80.59 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 115.869 -2.332 . . . . 2.68 108.201 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -65.86 -35.52 80.89 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.026 -1.469 . . . . 0.72 109.393 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.0 -59.6 2.82 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.834 -1.147 . . . . 1.8 108.214 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -47.7 -35.07 9.06 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.184 -1.371 . . . . 0.56 111.223 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.14 -53.65 55.24 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.275 -1.75 . . . . 1.31 106.275 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -60.58 -17.31 45.7 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 112.874 -1.966 . . . . 1.02 111.166 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.75 -33.61 16.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.3 -1.36 . . . . 1.71 109.496 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.17 -45.11 91.87 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 105.653 -1.98 . . . . 1.08 105.653 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 7.0 tt0 -43.53 -68.55 0.19 Allowed 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 111.449 -2.614 . . . . 1.84 109.047 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 59.1 mttp -63.08 -57.58 10.16 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 112.497 -2.138 . . . . 1.86 114.866 -177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.18 -38.36 11.74 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.53 -0.868 . . . . 1.22 111.023 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.06 -55.86 29.55 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.585 -1.246 . . . . 1.7 109.58 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.96 -22.89 67.12 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.575 -1.25 . . . . 2.61 110.447 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -86.92 29.47 0.81 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.791 -1.164 . . . . 1.79 109.572 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.453 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 25.7 t70 37.47 49.36 0.97 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 125.775 1.922 . . . . 2.45 108.866 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.32 52.04 1.25 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 100.471 -3.9 . . . . 0.89 100.471 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.89 -34.97 78.51 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.212 -1.813 . . . . 2.83 110.564 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -51.89 67.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.317 -2.475 . . . . 2.15 104.317 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.527 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 26.3 mp0 -66.35 -16.28 63.94 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.764 -1.562 . . . . 2.26 110.239 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.54 -44.86 70.07 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.572 -2.01 . . . . 0.65 105.572 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.98 -56.17 25.15 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.011 -1.477 . . . . 1.67 107.011 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -52.3 -31.77 15.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.654 -2.066 . . . . 1.12 109.228 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 38.2 t -67.79 -44.49 77.24 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 118.293 -1.363 . . . . 0.7 108.493 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 46.3 mt-10 -70.8 -31.57 68.37 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 117.875 -1.53 . . . . 2.82 109.386 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.2 m -68.14 -33.4 74.42 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 117.751 -1.58 . . . . 0.77 107.756 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.47 -40.1 67.23 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.616 -1.994 . . . . 1.22 105.616 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.499 ' CG ' HH21 ' B' ' 16' ' ' ARG . 8.9 t60 -48.51 -59.48 3.46 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 112.583 -2.099 . . . . 1.21 110.12 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.482 ' CG ' HH22 ' B' ' 16' ' ' ARG . 3.4 m-20 -79.83 -17.49 53.15 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 116.666 -2.014 . . . . 1.86 112.385 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.55 -30.74 71.77 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.288 -2.486 . . . . 2.24 104.288 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.11 -28.44 64.32 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.442 -1.303 . . . . 0.7 108.403 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' HB2' ' NH1' ' B' ' 16' ' ' ARG . 19.5 t70 -64.13 -33.76 76.5 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.372 -1.286 . . . . 1.45 109.076 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -54.19 -46.44 72.39 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 118.815 -1.154 . . . . 2.02 108.669 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.431 HD12 ' N ' ' B' ' 48' ' ' LEU . 6.9 mp -57.23 -44.58 83.92 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.172 -1.411 . . . . 1.52 108.177 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' B' ' 13' ' ' ARG . 24.8 t80 -56.65 -49.87 73.75 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 124.871 1.357 . . . . 1.4 110.908 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' B' ' 50' ' ' ARG . 8.1 mmp_? -58.81 -51.27 70.72 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.574 -1.25 . . . . 2.29 108.142 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -59.34 -26.68 65.25 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.178 -1.374 . . . . 2.11 110.173 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 92.2 m -76.52 -27.66 56.08 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 117.85 -1.54 . . . . 2.41 107.553 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.4 -36.44 81.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 105.314 -2.106 . . . . 1.58 105.314 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.42 5.81 0.71 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.711 -1.196 . . . . 2.0 113.282 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 55' ' ' ARG . 13.0 mmt180 -129.02 -55.39 1.2 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.701 -1.592 . . . . 3.65 106.701 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -78.75 4.41 13.91 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 112.759 -2.019 . . . . 3.11 110.614 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.73 163.28 16.19 Favored Glycine 0 N--CA 1.48 1.618 0 N-CA-C 106.106 -2.798 . . . . 4.85 106.106 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.84 -33.79 60.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.137 -2.542 . . . . 7.19 104.137 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.26 148.32 51.89 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.041 -1.436 . . . . 8.62 107.475 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.85 19.99 1.12 Allowed Glycine 0 C--N 1.297 -1.607 0 N-CA-C 106.795 -2.522 . . . . 9.74 106.795 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -126.28 -38.7 2.11 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.064 -1.088 . . . . 10.96 108.064 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 69.3 98.36 0.06 Allowed 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 105.15 -2.167 . . . . 12.6 105.15 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 42.5 tp . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 100.569 -3.863 . . . . 12.96 100.569 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' H ' ' A' ' 2' ' ' THR . 6.0 ptm . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 104.804 -2.295 . . . . 5.37 104.804 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.471 ' H ' ' HG3' ' A' ' 1' ' ' MET . 6.2 m -84.12 154.91 22.87 Favored 'General case' 0 C--N 1.298 -1.667 1 N-CA-C 98.532 -4.618 . . . . 4.02 98.532 178.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.551 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 2.8 mptp? -89.99 -16.55 29.63 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.412 -1.715 . . . . 4.95 111.438 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.76 -27.12 68.07 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 105.921 -1.881 . . . . 4.09 105.921 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -61.94 -42.85 99.58 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 123.279 1.514 . . . . 2.53 106.99 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.592 ' HZ1' ' H ' ' A' ' 59' ' ' ASP . 20.2 mmtp -69.53 -31.83 70.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.769 -2.014 . . . . 3.78 108.918 -177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -73.59 -24.51 60.07 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 116.58 -2.048 . . . . 1.82 105.913 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -57.5 4.74 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.604 -1.238 . . . . 0.87 112.348 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.588 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 2.6 pt? -68.48 -27.94 66.59 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.111 -2.636 . . . . 2.37 108.658 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -66.76 -36.96 83.65 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 115.831 -2.348 . . . . 2.15 106.823 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.401 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 43.0 tpp -63.3 -45.51 91.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.999 -1.482 . . . . 2.42 106.999 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.08 69.3 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.123 -1.031 . . . . 0.67 109.383 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -66.05 -39.7 90.33 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.289 -2.115 . . . . 3.15 105.289 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 9.4 m-85 -72.32 -24.5 61.32 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.425 -1.31 . . . . 2.71 109.835 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.96 -37.07 79.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 103.991 -2.596 . . . . 0.93 103.991 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -64.57 -37.74 88.62 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.333 -1.747 . . . . 2.68 106.87 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -60.45 -38.6 84.68 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.95 -1.5 . . . . 0.72 108.042 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.98 -40.08 92.08 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 117.546 -1.662 . . . . 1.8 107.018 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 m -59.84 -30.7 69.13 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.879 -1.128 . . . . 0.56 108.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.69 -58.58 5.9 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 104.032 -2.581 . . . . 1.31 104.032 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -53.49 -19.61 3.86 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.802 -1.09 . . . . 1.02 110.795 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.81 -36.25 23.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.45 -1.3 . . . . 1.71 109.846 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 tp -50.49 -59.66 3.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 124.406 1.066 . . . . 1.08 111.037 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 3.8 mp0 -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 125.006 1.441 . . . . 1.84 108.747 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HE3' ' SD ' ' B' ' 11' ' ' MET . 62.2 mttm -51.21 -47.48 62.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.361 -1.29 . . . . 1.86 111.403 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.54 -33.85 68.53 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.552 -1.259 . . . . 1.22 110.966 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -69.76 -53.55 17.85 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 117.613 -1.635 . . . . 1.7 110.171 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.53 -26.46 68.72 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.526 -1.27 . . . . 2.61 110.782 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -89.97 14.14 12.96 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.346 -0.942 . . . . 1.79 110.434 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' HH21 ' B' ' 55' ' ' ARG . 19.3 t0 48.75 71.66 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 123.222 1.487 . . . . 2.45 109.288 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.98 55.05 1.72 Allowed 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 103.668 -2.715 . . . . 0.89 103.668 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.57 -39.47 64.83 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.621 -1.627 . . . . 2.83 109.408 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 34' ' ' GLN . 8.9 pt-20 -60.33 -41.47 93.62 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.903 -1.519 . . . . 2.15 108.28 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.555 ' HG3' ' SG ' ' B' ' 52' ' ' CYS . 91.1 mm-40 -74.74 -14.44 60.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.794 -1.562 . . . . 2.26 108.691 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -56.92 6.94 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 104.217 -2.512 . . . . 0.65 104.217 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -50.61 -55.55 15.83 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 117.653 -1.619 . . . . 1.67 110.242 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.3 mm -55.42 -31.53 27.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 112.93 -1.941 . . . . 1.12 109.193 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.2 t -71.23 -43.33 67.52 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.27 -1.372 . . . . 0.7 110.025 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.5 76.02 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 117.99 -1.484 . . . . 2.82 107.945 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -59.96 -31.85 70.26 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.619 -1.173 . . . . 0.77 109.773 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -74.45 -35.43 63.33 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.717 -1.216 . . . . 1.22 107.717 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -57.42 -59.82 4.58 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 112.425 -2.17 . . . . 1.21 108.726 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.43 -40.57 96.0 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 117.404 -1.719 . . . . 1.86 110.698 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -61.21 -28.58 69.25 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.101 -1.84 . . . . 2.24 109.392 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.67 65.69 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.378 -2.453 . . . . 0.7 104.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -73.03 -16.2 61.5 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 117.659 -1.616 . . . . 1.45 106.686 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.81 -36.8 56.66 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 104.488 -2.412 . . . . 2.02 104.488 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.94 -31.83 73.25 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 104.458 -2.423 . . . . 1.52 104.458 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 83.4 t80 -69.66 -43.24 72.99 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.219 -0.992 . . . . 1.4 109.844 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -64.13 -63.52 1.13 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.5 -0.926 . . . . 2.29 108.5 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.598 ' HB3' HE21 ' B' ' 34' ' ' GLN . 30.1 m -50.0 -43.36 50.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.553 -1.203 . . . . 2.11 111.887 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 9' ' ' LEU . 28.6 p -72.9 -29.94 63.54 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 116.184 -2.207 . . . . 2.41 108.962 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.8 -25.48 66.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.009 -1.848 . . . . 1.58 106.009 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.85 -29.56 67.91 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 116.866 -1.934 . . . . 2.0 106.75 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.422 HH12 ' C ' ' B' ' 30' ' ' ASP . 12.2 tpp85 -85.24 -21.94 28.86 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.828 -1.078 . . . . 3.65 110.408 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 29.5 m-85 -112.83 -5.7 13.86 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 115.56 1.689 . . . . 3.11 115.56 -177.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.0 95.88 0.21 Allowed Glycine 0 N--CA 1.485 1.932 0 C-N-CA 117.344 -2.36 . . . . 4.85 111.55 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.436 ' CG ' ' H1 ' ' A' ' 1' ' ' MET . 5.3 p-10 -160.27 -44.5 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.726 -1.19 . . . . 7.19 109.492 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.592 ' H ' ' HZ1' ' A' ' 6' ' ' LYS . 75.0 m-20 -75.51 -8.89 57.92 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.049 -1.834 . . . . 8.62 106.049 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.76 -171.3 32.72 Favored Glycine 0 C--N 1.297 -1.626 0 N-CA-C 104.308 -3.517 . . . . 9.74 104.308 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -32.02 11.9 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.692 -0.803 . . . . 10.96 111.389 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -110.28 17.35 20.99 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.758 -1.571 . . . . 12.6 106.758 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.462 0 N-CA-C 107.49 -1.3 . . . . 12.96 107.49 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.516 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.1 mpp? . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.702 -0.11 . . . . 5.37 110.702 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.5 m 68.83 13.95 8.89 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.834 0.826 . . . . 4.02 109.461 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -89.92 -113.65 0.07 Allowed 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.116 -1.809 . . . . 4.95 106.116 178.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -81.39 -17.66 48.2 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 119.981 -0.688 . . . . 4.09 110.693 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' B' ' 5' ' ' GLU . 0.1 OUTLIER -64.53 -33.84 76.84 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.474 -2.047 . . . . 2.53 105.474 -179.282 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.511 ' HA ' ' CE ' ' B' ' 6' ' ' LYS . 0.4 OUTLIER -69.82 -28.25 65.55 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 118.422 -1.311 . . . . 3.78 109.109 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -68.57 -48.46 64.17 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 117.341 -1.743 . . . . 1.82 107.137 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.99 79.29 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.427 -1.309 . . . . 0.87 109.38 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.12 -49.19 72.38 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 113.902 -1.499 . . . . 2.37 111.971 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -69.01 -34.94 76.07 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.197 -1.401 . . . . 2.15 111.71 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' MET . . . . . 0.406 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 93.8 mtp -70.11 -36.6 74.97 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 117.958 -1.497 . . . . 2.42 109.15 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.91 73.03 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.849 -1.908 . . . . 0.67 105.849 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -70.96 -25.16 62.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 105.746 -1.946 . . . . 3.15 105.746 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -32.73 59.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.719 -1.586 . . . . 2.71 106.719 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -59.22 -48.04 88.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 103.525 -2.769 . . . . 0.93 103.525 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.508 ' HD2' ' HA ' ' B' ' 46' ' ' ASP . 33.7 mtp-105 -55.88 -36.41 67.59 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 118.002 -1.479 . . . . 2.68 110.578 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -64.44 -56.68 12.65 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 117.606 -1.638 . . . . 0.72 109.235 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -54.79 -60.45 3.34 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.688 0.756 . . . . 1.8 109.951 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.402 HG22 ' SG ' ' B' ' 38' ' ' CYS . 30.5 m -51.85 -31.22 26.91 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.183 -1.826 . . . . 0.56 110.946 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.18 -49.17 53.07 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 116.98 -1.888 . . . . 1.31 108.431 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -70.63 -19.95 62.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 117.538 -1.665 . . . . 1.02 108.207 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 tp -72.76 -43.65 62.58 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.687 -1.968 . . . . 1.71 105.687 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.59 -51.97 61.31 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.558 -1.645 . . . . 1.08 106.558 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -48.01 -59.77 3.11 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.593 -1.64 . . . . 1.84 108.523 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -59.33 -28.75 67.1 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.666 -1.152 . . . . 1.86 111.574 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 74.4 mt -67.28 -42.82 83.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 116.794 -1.963 . . . . 1.22 106.325 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -57.44 -42.42 82.41 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.416 -1.313 . . . . 1.7 109.656 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -62.87 -34.43 77.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.323 -1.351 . . . . 2.61 110.105 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.96 28.23 1.42 Allowed 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.399 -0.921 . . . . 1.79 109.878 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.422 ' C ' HH12 ' A' ' 55' ' ' ARG . 5.8 m-20 50.88 17.6 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.126 0.891 . . . . 2.45 111.034 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.59 50.46 1.91 Allowed 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.768 -0.773 . . . . 0.89 109.571 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -62.96 -32.51 73.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 124.296 0.998 . . . . 2.83 110.707 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.79 -50.4 73.37 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.887 -2.264 . . . . 2.15 104.887 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.598 HE21 ' HB3' ' A' ' 51' ' ' SER . 6.6 mp0 -64.91 -23.15 67.14 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.914 -1.494 . . . . 2.26 109.107 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.67 70.75 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.414 -1.714 . . . . 0.65 108.268 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -60.21 -49.6 76.98 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.311 -1.737 . . . . 1.67 106.311 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.31 -34.4 50.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 112.124 -2.307 . . . . 1.12 107.739 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' B' ' 19' ' ' THR . 34.9 t -72.86 -29.56 63.3 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 118.666 -1.214 . . . . 0.7 109.799 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.72 -52.7 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.817 -1.549 . . . . 2.82 106.817 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.5 m -59.56 -34.49 72.75 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.294 -1.321 . . . . 0.77 109.124 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.42 -39.07 81.74 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.192 -1.403 . . . . 1.22 108.808 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.91 -54.56 40.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.029 -1.441 . . . . 1.21 109.647 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.89 -47.11 81.27 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.294 1.045 . . . . 1.86 109.973 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.55 -32.18 73.09 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 113.523 -1.671 . . . . 2.24 108.565 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.17 -21.28 46.65 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.525 -1.287 . . . . 0.7 107.525 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.508 ' HA ' ' HD2' ' B' ' 16' ' ' ARG . 33.7 t0 -78.23 -8.9 58.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.405 -1.331 . . . . 1.45 107.405 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' B' ' 49' ' ' TYR . 22.1 mm-40 -70.85 -38.13 73.14 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 116.292 -2.163 . . . . 2.02 105.801 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.447 HD12 ' N ' ' B' ' 48' ' ' LEU . 8.0 mp -65.68 -4.29 6.09 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 114.104 -1.407 . . . . 1.52 108.722 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' B' ' 47' ' ' GLU . 56.6 t80 -107.94 -82.91 0.55 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 100.281 -3.97 . . . . 1.4 100.281 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 30.8 mtm180 -33.42 -70.86 0.07 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.126 1.528 . . . . 2.29 115.126 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -57.77 -34.99 70.17 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.754 -1.179 . . . . 2.11 109.893 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.555 ' SG ' ' HG3' ' A' ' 34' ' ' GLN . 77.5 m -70.37 -26.62 63.8 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 116.076 -2.25 . . . . 2.41 109.197 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.84 -39.93 90.93 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 103.481 -2.785 . . . . 1.58 103.481 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.26 68.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 117.082 -1.847 . . . . 2.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.442 HH21 ' CG ' ' A' ' 30' ' ' ASP . 10.5 mmm180 -77.29 -19.1 56.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 117.991 -1.484 . . . . 3.65 111.967 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -105.17 -50.66 3.19 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.365 -1.334 . . . . 3.11 108.915 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.5 -16.89 27.78 Favored Glycine 0 N--CA 1.484 1.858 0 C-N-CA 119.303 -1.427 . . . . 4.85 114.147 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.41 26.41 3.41 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 106.596 -1.631 . . . . 7.19 106.596 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASP . . . . . 0.502 ' HA ' ' NZ ' ' B' ' 6' ' ' LYS . 1.0 OUTLIER -99.81 124.06 44.7 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 114.62 -1.173 . . . . 8.62 112.939 -177.811 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.31 10.33 4.71 Favored Glycine 0 C--N 1.295 -1.715 0 N-CA-C 104.174 -3.571 . . . . 9.74 104.174 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' B' ' 61' ' ' GLU . 13.9 mp0 -81.74 142.76 32.35 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 104.144 -2.539 . . . . 10.96 104.144 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -145.89 81.79 1.61 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.471 -1.307 . . . . 12.6 107.471 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.433 ' C ' HH22 ' B' ' 16' ' ' ARG . 20.2 tp . . . . . 0 C--N 1.301 -1.532 0 N-CA-C 102.516 -3.142 . . . . 12.96 102.516 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 105.241 -2.133 . . . . 5.37 105.241 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -127.59 -142.69 0.27 Allowed 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.003 -1.079 . . . . 4.02 111.856 -178.292 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -73.4 -70.31 0.38 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 115.196 1.554 . . . . 4.95 115.196 -177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.532 ' CD ' ' H ' ' A' ' 4' ' ' GLN . 4.9 pm0 -85.08 53.36 2.71 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 115.185 1.55 . . . . 4.09 115.185 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.23 -74.61 0.09 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.754 -1.179 . . . . 2.53 108.474 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -63.86 -22.33 66.87 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.973 -1.491 . . . . 3.78 112.507 -178.372 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.498 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 5.9 m -78.16 -38.02 44.54 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 116.408 -2.117 . . . . 1.82 109.301 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.1 75.32 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.756 -2.313 . . . . 0.87 104.756 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -58.18 -65.35 0.66 Allowed 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 113.353 -1.749 . . . . 2.37 109.54 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 11' ' ' MET . 0.4 OUTLIER -61.91 -21.13 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 118.065 -1.454 . . . . 2.15 112.257 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' HD22 ' A' ' 10' ' ' ASN . 75.9 mmm -84.9 -21.85 29.53 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 117.094 -1.842 . . . . 2.42 108.568 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.36 -45.39 76.44 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 102.678 -3.082 . . . . 0.67 102.678 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -59.39 -26.8 65.43 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 111.551 -2.568 . . . . 3.15 108.119 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.63 -49.54 68.31 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.366 -1.734 . . . . 2.71 107.645 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.0 mt -57.6 -38.58 64.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 C-N-CA 118.552 -1.259 . . . . 0.93 108.179 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 ttt180 -56.16 -43.61 78.5 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 118.365 -1.334 . . . . 2.68 107.505 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 m -63.78 -43.69 95.6 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.687 -1.205 . . . . 0.72 110.698 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.92 -48.55 75.49 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 118.057 -1.457 . . . . 1.8 109.51 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.7 m -56.78 -35.48 68.74 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.451 -1.25 . . . . 0.56 111.265 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.64 -45.92 92.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.747 -1.575 . . . . 1.31 106.747 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -58.82 -37.17 75.79 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 114.015 -1.448 . . . . 1.02 108.484 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.07 -44.98 96.56 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.096 -1.842 . . . . 1.71 108.899 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.8 tp -49.72 -45.27 49.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 124.347 1.029 . . . . 1.08 108.651 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.34 -43.21 88.2 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.686 -1.143 . . . . 1.84 108.967 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.4 -36.5 84.16 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 116.9 -1.92 . . . . 1.86 110.175 -178.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.504 HD22 ' SG ' ' A' ' 38' ' ' CYS . 11.0 mp -70.66 -22.37 62.5 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.538 -1.665 . . . . 1.22 107.832 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -64.49 -35.15 80.03 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.501 -1.666 . . . . 1.7 106.501 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -53.44 57.48 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 118.367 -1.333 . . . . 2.61 108.134 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.4 mp -89.98 25.7 2.05 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.27 -0.972 . . . . 1.79 112.348 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' CG ' HH22 ' B' ' 55' ' ' ARG . 6.7 p-10 33.84 31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 125.443 1.715 . . . . 2.45 112.7 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -68.69 86.17 0.32 Allowed 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.073 -1.051 . . . . 0.89 109.373 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.67 -52.63 63.56 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 125.102 1.501 . . . . 2.83 110.876 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -49.49 -57.14 7.59 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.082 -1.417 . . . . 2.15 110.224 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -72.39 -15.08 61.85 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 117.432 -1.707 . . . . 2.26 110.144 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.05 78.59 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 103.667 -2.716 . . . . 0.65 103.667 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.58 -53.62 56.3 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 117.448 -1.701 . . . . 1.67 107.761 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.1 mt -52.62 -34.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 C-N-CA 117.947 -1.501 . . . . 1.12 109.558 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.504 ' SG ' HD22 ' A' ' 26' ' ' LEU . 55.6 m -70.04 -37.96 75.73 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 117.599 -1.64 . . . . 0.7 111.062 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.08 -47.48 51.12 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 117.954 -1.498 . . . . 2.82 108.691 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' HIS . 17.5 m -59.45 -35.04 73.3 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 118.741 -1.184 . . . . 0.77 108.369 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -72.13 -42.65 65.77 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.019 0.914 . . . . 1.22 108.566 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 84.4 t60 -52.06 -50.98 60.44 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 112.921 -1.945 . . . . 1.21 108.552 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.06 -24.04 38.09 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.886 -1.506 . . . . 1.86 112.27 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CE1' HG23 ' B' ' 37' ' ' ILE . 67.2 t60 -65.18 -35.82 82.27 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.22 -2.141 . . . . 2.24 105.22 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.17 69.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 105.955 -1.868 . . . . 0.7 105.955 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' CG ' ' NH1' ' A' ' 16' ' ' ARG . 36.9 t70 -68.34 -16.58 63.99 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.078 -1.449 . . . . 1.45 110.247 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 49' ' ' TYR . 9.4 mm-40 -65.01 -33.22 75.53 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 116.016 -2.274 . . . . 2.02 105.898 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HA ' ' NE2' ' B' ' 34' ' ' GLN . 32.5 mt -73.39 11.36 0.79 Allowed 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 113.623 -1.626 . . . . 1.52 108.832 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' A' ' 47' ' ' GLU . 44.6 t80 -120.15 -37.03 3.13 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 103.054 -2.943 . . . . 1.4 103.054 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -75.28 -79.75 0.09 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.518 -1.219 . . . . 2.29 112.716 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.0 m -55.96 -21.2 19.6 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.558 -0.857 . . . . 2.11 111.029 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' B' ' 34' ' ' GLN . 50.9 m -73.57 -47.69 38.62 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 117.724 -1.591 . . . . 2.41 106.82 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.5 -32.29 73.17 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 117.591 -1.644 . . . . 1.58 108.328 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.1 -23.01 12.34 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 118.692 -1.203 . . . . 2.0 110.708 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.462 HH12 ' CD ' ' B' ' 33' ' ' GLU . 75.6 mtm-85 -114.38 -14.02 12.23 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 118.51 -1.276 . . . . 3.65 111.178 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 52' ' ' CYS . 9.5 m-30 -94.01 -6.28 45.67 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 117.809 -1.556 . . . . 3.11 107.31 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.57 109.5 0.3 Allowed Glycine 0 N--CA 1.48 1.605 0 C-N-CA 118.498 -1.81 . . . . 4.85 108.726 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.19 149.28 42.05 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 106.935 -1.506 . . . . 7.19 106.935 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -79.71 -32.13 41.25 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.299 -2.111 . . . . 8.62 105.299 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.24 -56.92 0.61 Allowed Glycine 0 C--N 1.299 -1.475 0 N-CA-C 106.312 -2.715 . . . . 9.74 106.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 62' ' ' ASN . 7.4 pt-20 -165.16 -51.39 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.848 -1.167 . . . . 10.96 107.848 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 49.2 t-20 174.17 81.02 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 103.51 -2.774 . . . . 12.6 103.51 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--N 1.298 -1.663 0 CA-C-O 114.327 -2.749 . . . . 12.96 104.277 179.016 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 C--O 1.214 -0.774 0 N-CA-C 104.059 -2.571 . . . . 5.37 104.059 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.28 12.11 0.13 Allowed 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 116.071 1.878 . . . . 4.02 116.071 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' B' ' 4' ' ' GLN . 13.8 pttp -90.02 -118.78 0.06 Allowed 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 101.923 -3.362 . . . . 4.95 101.923 178.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.485 ' N ' ' HG3' ' B' ' 3' ' ' LYS . 37.1 mt-30 -82.7 7.43 14.9 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 117.816 -1.553 . . . . 4.09 111.151 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -69.52 -63.25 1.11 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 115.708 -2.397 . . . . 2.53 107.555 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' B' ' 63' ' ' LEU . 13.8 tttp -57.58 -26.01 60.83 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.173 -1.376 . . . . 3.78 109.075 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.7 m -78.17 -34.97 49.36 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.38 -1.328 . . . . 1.82 110.737 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.3 70.07 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 106.095 -1.817 . . . . 0.87 106.095 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tt -56.56 -52.84 63.28 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 111.391 -2.641 . . . . 2.37 105.084 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.18 -49.5 73.85 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.559 -1.655 . . . . 2.15 110.041 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.9 mmm -55.58 -39.49 70.76 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.214 -0.994 . . . . 2.42 111.353 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.14 86.13 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.668 -1.613 . . . . 0.67 107.939 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' B' ' 13' ' ' ARG . 2.8 tpm_? -67.62 -39.97 84.68 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 117.338 -1.745 . . . . 3.15 109.958 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -65.66 -45.69 81.96 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.633 -1.227 . . . . 2.71 109.895 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.6 mt -53.72 -44.87 60.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 CA-C-N 115.439 -0.8 . . . . 0.93 109.329 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' B' ' 42' ' ' HIS . 52.9 ttt85 -49.98 -52.98 29.56 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 118.428 -1.309 . . . . 2.68 107.961 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -53.79 -49.37 68.44 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.057 -1.429 . . . . 0.72 110.57 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.08 -39.37 78.37 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 118.478 -1.289 . . . . 1.8 110.552 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -59.97 -34.91 73.92 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 117.826 -1.55 . . . . 0.56 109.626 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.45 -44.45 96.38 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 117.355 -1.738 . . . . 1.31 106.385 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -61.57 -37.22 83.03 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.593 -1.243 . . . . 1.02 110.617 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.66 -32.58 68.06 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 118.168 -1.413 . . . . 1.71 109.389 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.66 -53.03 60.17 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.998 -1.081 . . . . 1.08 109.79 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.446 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 17.3 mt-10 -43.69 -57.07 3.39 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 125.552 1.783 . . . . 1.84 108.866 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 29' ' ' LEU . 35.5 mmtm -57.44 -50.87 71.61 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 111.9 -2.409 . . . . 1.86 112.134 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -55.81 -29.41 59.7 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.19 -1.404 . . . . 1.22 110.223 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -67.15 -40.03 86.64 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 117.571 -1.652 . . . . 1.7 107.241 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.41 -32.48 64.45 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.828 -1.149 . . . . 2.61 111.458 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 25' ' ' LYS . 44.5 mt -77.24 20.21 0.29 Allowed 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 115.187 1.551 . . . . 1.79 115.187 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.82 33.3 16.72 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 105.97 -1.863 . . . . 2.45 105.97 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.426 ' HB1' ' CG ' ' B' ' 34' ' ' GLN . . . -111.45 68.97 0.67 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.326 -1.361 . . . . 0.89 107.326 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -59.85 -58.6 7.84 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.235 -1.802 . . . . 2.83 112.151 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.462 ' CD ' HH12 ' A' ' 55' ' ' ARG . 0.0 OUTLIER -64.12 -24.82 67.83 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.303 -1.359 . . . . 2.15 109.994 -179.804 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' A' ' 52' ' ' CYS . 10.9 mm100 -74.39 -27.68 60.75 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 116.496 -2.082 . . . . 2.26 105.782 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -58.16 8.33 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 104.505 -2.406 . . . . 0.65 104.505 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.62 -59.02 3.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 125.076 1.485 . . . . 1.67 111.377 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' A' ' 44' ' ' HIS . 72.2 mt -55.01 -30.85 24.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 CA-C-N 113.851 -1.522 . . . . 1.12 109.876 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 51.5 t -80.52 -27.22 37.72 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.696 -1.202 . . . . 0.7 110.346 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.93 -41.86 64.09 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.523 -2.399 . . . . 2.82 104.523 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 26.7 m -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.044 -1.836 . . . . 0.77 106.044 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.33 -39.74 88.13 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.369 -0.932 . . . . 1.22 108.798 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.503 ' CG ' HH11 ' B' ' 16' ' ' ARG . 3.0 t60 -52.65 -53.67 43.9 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 113.459 -1.7 . . . . 1.21 110.182 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.21 -29.71 34.47 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.15 -1.82 . . . . 1.86 112.227 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.56 -26.24 67.03 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 117.519 -1.672 . . . . 2.24 108.532 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.18 74.73 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.276 -2.861 . . . . 0.7 103.276 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.435 ' HB3' HH12 ' B' ' 50' ' ' ARG . 33.7 t0 -77.21 -20.53 55.18 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 113.242 -1.799 . . . . 1.45 106.83 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.46 -36.59 73.99 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 116.481 -2.088 . . . . 2.02 106.692 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.421 HD21 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -64.73 -43.77 92.31 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.988 -2.597 . . . . 1.52 103.988 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 80.7 t80 -54.77 -45.98 74.32 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.553 -1.203 . . . . 1.4 110.896 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.435 HH12 ' HB3' ' B' ' 46' ' ' ASP . 56.8 mtm-85 -67.18 -55.76 12.78 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.635 -0.826 . . . . 2.29 110.476 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.0 m -56.12 -25.21 45.01 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.451 -1.25 . . . . 2.11 110.405 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' B' ' 56' ' ' PHE . 52.4 t -66.73 -47.48 72.17 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.064 -2.198 . . . . 2.41 105.064 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.45 -37.66 73.21 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.003 -1.479 . . . . 1.58 108.159 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.22 -60.34 3.32 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 115.121 1.526 . . . . 2.0 115.121 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.445 HH22 ' CG ' ' A' ' 30' ' ' ASP . 26.4 ttt180 -85.66 -34.01 21.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 116.658 -2.017 . . . . 3.65 112.081 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' SG ' ' B' ' 52' ' ' CYS . 2.2 m-30 -75.17 -23.05 57.67 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 116.53 -2.068 . . . . 3.11 107.605 -179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.27 60.21 6.15 Favored Glycine 0 N--CA 1.478 1.491 1 N-CA-C 100.121 -5.191 . . . . 4.85 100.121 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.9 t0 56.07 -107.78 0.4 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 103.178 -2.897 . . . . 7.19 103.178 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -146.37 15.12 1.29 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 104.212 -2.514 . . . . 8.62 104.212 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.81 40.69 0.64 Allowed Glycine 0 C--N 1.297 -1.607 0 N-CA-C 103.533 -3.827 . . . . 9.74 103.533 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' B' ' 61' ' ' GLU . 10.8 mp0 43.75 37.85 1.79 Allowed 'General case' 0 N--CA 1.485 1.296 0 O-C-N 125.583 1.402 . . . . 10.96 110.821 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -86.89 177.34 7.3 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 117.658 -1.617 . . . . 12.6 106.799 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.475 ' N ' HD22 ' B' ' 63' ' ' LEU . 2.4 mm? . . . . . 0 C--N 1.3 -1.559 0 N-CA-C 102.274 -3.232 . . . . 12.96 102.274 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 107.139 -1.43 . . . . 5.37 107.139 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -153.79 -178.13 6.85 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.99 -1.485 . . . . 4.02 106.99 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.82 -24.64 66.19 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 117.362 -1.735 . . . . 4.95 109.192 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.27 -27.2 67.0 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 117.896 -1.522 . . . . 4.09 108.606 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 21.8 mp0 -68.94 -45.52 70.55 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 104.038 -2.579 . . . . 2.53 104.038 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.58 -32.91 71.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.753 -1.579 . . . . 3.78 107.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 m -69.46 -37.99 77.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.52 -1.672 . . . . 1.82 107.2 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -27.01 67.49 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.972 -1.091 . . . . 0.87 109.2 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.89 -41.71 97.64 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 104.978 -2.23 . . . . 2.37 104.978 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -71.1 -35.88 71.98 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.007 -1.477 . . . . 2.15 112.512 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.466 ' SD ' ' HG ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -72.67 -29.61 63.57 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 115.818 -2.353 . . . . 2.42 107.917 -178.663 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 105.715 -1.957 . . . . 0.67 105.715 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 38.5 ttm180 -63.08 -30.51 71.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.578 -1.647 . . . . 3.15 107.556 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.38 -47.93 83.58 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.209 -1.797 . . . . 2.71 108.037 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.85 -36.8 63.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.825 -1.15 . . . . 0.93 108.056 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.464 HH21 ' CD2' ' A' ' 42' ' ' HIS . 18.1 mtp180 -61.8 -52.37 64.47 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.188 -1.805 . . . . 2.68 110.683 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -61.53 -34.15 75.05 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.856 -1.066 . . . . 0.72 110.914 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.46 -54.17 36.66 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.153 -1.795 . . . . 1.8 106.153 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -60.78 -26.53 67.32 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.159 -1.837 . . . . 0.56 109.502 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.34 -55.32 14.31 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 117.784 -1.566 . . . . 1.31 107.199 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -67.39 -19.12 65.36 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.984 -1.462 . . . . 1.02 108.896 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.05 -35.41 56.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.991 -1.855 . . . . 1.71 105.991 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.86 -53.79 54.37 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 105.781 -1.933 . . . . 1.08 105.781 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.6 -67.34 0.27 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.746 -2.479 . . . . 1.84 109.255 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -53.15 -29.57 32.04 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 113.975 -1.466 . . . . 1.86 113.089 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.68 -35.64 72.91 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.516 -1.674 . . . . 1.22 107.719 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -64.67 -36.84 85.56 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.345 -1.724 . . . . 1.7 106.345 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -71.59 -32.69 68.31 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.05 -1.06 . . . . 2.61 110.335 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp -89.29 20.67 3.66 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.077 -1.049 . . . . 1.79 110.838 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' B' ' 55' ' ' ARG . 36.5 t70 54.44 72.3 0.47 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 124.423 1.077 . . . . 2.45 108.268 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.76 121.43 13.41 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.33 -1.729 . . . . 0.89 106.33 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' CG ' HH22 ' B' ' 55' ' ' ARG . 43.4 m-20 -105.3 -68.52 0.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 124.95 1.406 . . . . 2.83 108.168 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -44.63 -42.12 7.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.922 1.389 . . . . 2.15 110.715 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' B' ' 52' ' ' CYS . 9.8 mt-30 -69.18 -40.25 78.21 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.422 -1.311 . . . . 2.26 109.282 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.4 96.43 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.227 -1.389 . . . . 0.65 109.285 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -58.7 -63.29 1.34 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.361 -0.936 . . . . 1.67 109.635 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -27.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.905 -1.118 . . . . 1.12 109.682 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.09 -42.87 93.67 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.871 -1.529 . . . . 0.7 106.871 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -66.6 -36.39 82.5 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 106.352 -1.721 . . . . 2.82 106.352 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -64.3 -30.92 71.95 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 116.84 -1.944 . . . . 0.77 107.935 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.28 -34.89 68.52 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 104.43 -2.433 . . . . 1.22 104.43 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CD2' HH21 ' A' ' 16' ' ' ARG . 63.0 t60 -61.88 -53.76 51.3 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.108 -1.037 . . . . 1.21 110.824 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.82 -38.26 79.75 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 117.879 -1.528 . . . . 1.86 110.751 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -65.88 -28.5 69.0 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 115.968 -2.293 . . . . 2.24 107.173 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.73 -26.04 59.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 104.119 -2.548 . . . . 0.7 104.119 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 40.9 t0 -71.39 -29.61 65.14 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 104.722 -2.325 . . . . 1.45 104.722 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 49' ' ' TYR . 57.2 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 102.462 -3.162 . . . . 2.02 102.462 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 tp -75.65 16.41 0.39 Allowed 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.345 -1.298 . . . . 1.52 109.311 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 70.4 t80 -128.85 -24.39 2.96 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.795 -1.558 . . . . 1.4 106.795 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.463 HH21 ' CG ' ' A' ' 47' ' ' GLU . 79.9 mtm180 -103.26 -63.1 1.21 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.322 -1.362 . . . . 2.29 107.322 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 m -59.76 -30.92 69.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 105.107 -2.182 . . . . 2.11 105.107 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 49' ' ' TYR . 11.9 p -72.05 -31.85 66.54 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 116.301 -2.159 . . . . 2.41 108.383 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.42 -25.86 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.387 -1.338 . . . . 1.58 107.387 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.19 -11.96 7.53 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 117.943 -1.503 . . . . 2.0 109.259 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HA ' HH11 ' A' ' 55' ' ' ARG . 9.6 tpp180 -113.99 -47.37 2.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.852 -1.536 . . . . 3.65 106.852 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' A' ' 58' ' ' ASP . 7.8 m-30 -72.83 7.83 1.8 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.63 -1.168 . . . . 3.11 111.133 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.64 44.17 2.74 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 103.127 -3.989 . . . . 4.85 103.127 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 56' ' ' PHE . 7.5 p-10 -85.62 34.79 0.59 Allowed 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.365 -0.917 . . . . 7.19 112.712 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.37 162.18 26.64 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 117.259 -1.777 . . . . 8.62 107.264 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.25 179.04 46.5 Favored Glycine 0 C--N 1.297 -1.637 0 N-CA-C 106.44 -2.664 . . . . 9.74 106.44 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -33.6 5.58 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.599 0.823 . . . . 10.96 109.682 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -151.46 -52.48 0.13 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.254 -1.758 . . . . 12.6 106.254 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 N--CA 1.49 1.564 0 O-C-N 126.78 2.55 . . . . 12.96 106.069 -179.027 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtm . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.196 -1.038 . . . . 5.37 108.196 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 28.5 m -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.963 -1.495 . . . . 4.02 106.963 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -61.5 -27.96 68.96 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.666 -1.605 . . . . 4.95 106.666 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -57.23 -40.21 77.09 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 118.499 -1.28 . . . . 4.09 107.848 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 66.3 mt-10 -62.36 -44.76 95.7 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.919 -1.511 . . . . 2.53 106.919 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.527 ' HZ2' ' CD ' ' B' ' 61' ' ' GLU . 58.1 mttp -62.28 -23.58 66.79 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.066 -1.454 . . . . 3.78 110.201 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -73.58 -49.04 28.31 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.261 -1.755 . . . . 1.82 106.261 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.224 -1.028 . . . . 0.87 108.224 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.44 -42.23 98.43 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.246 -1.391 . . . . 2.37 107.246 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.85 -37.05 85.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.045 -1.462 . . . . 2.15 109.226 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.86 -39.86 94.23 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.15 -1.42 . . . . 2.42 109.865 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.65 95.0 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.302 -1.359 . . . . 0.67 108.542 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' B' ' 49' ' ' TYR . 41.5 ttm180 -64.72 -32.43 74.1 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.348 -1.341 . . . . 3.15 107.968 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.16 -49.29 76.44 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.435 -1.706 . . . . 2.71 108.308 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mt -53.84 -43.1 55.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 C-N-CA 118.697 -1.201 . . . . 0.93 109.122 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.488 ' NH2' ' HA ' ' B' ' 43' ' ' ASP . 25.5 ttt85 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.67 -1.612 . . . . 2.68 108.827 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -69.38 -33.79 73.57 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.326 -0.95 . . . . 0.72 111.252 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.51 -44.84 93.12 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.673 -1.603 . . . . 1.8 106.673 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.456 HG22 ' SG ' ' B' ' 38' ' ' CYS . 25.6 m -63.66 -39.79 95.22 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 113.38 -1.736 . . . . 0.56 109.797 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 67.1 tp -61.59 -58.77 6.78 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.282 -1.367 . . . . 1.31 110.982 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -59.45 -38.45 80.74 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.257 -1.338 . . . . 1.02 110.746 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' SD ' ' A' ' 11' ' ' MET . 3.5 mm? -69.69 -27.99 65.47 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 116.969 -1.892 . . . . 1.71 109.557 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.2 -46.1 75.87 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.195 -1.402 . . . . 1.08 107.739 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.428 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 18.2 mt-10 -52.35 -57.43 9.8 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.879 -1.897 . . . . 1.84 105.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.428 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 36.3 mmtm -59.38 -23.08 62.28 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 112.649 -2.069 . . . . 1.86 112.018 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.17 -33.22 65.32 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 116.068 -2.253 . . . . 1.22 105.148 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -65.94 -50.79 63.12 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 117.679 -1.608 . . . . 1.7 107.729 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.39 -33.91 73.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.231 -0.895 . . . . 2.61 110.793 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 31' ' ' ALA . 74.6 mt -90.01 39.71 0.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.223 -0.899 . . . . 1.79 109.635 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 34.03 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 O-C-N 126.202 2.189 . . . . 2.45 114.711 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' B' ' 34' ' ' GLN . . . -108.15 46.39 0.96 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 103.929 -2.619 . . . . 0.89 103.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.511 -1.222 . . . . 2.83 109.555 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.612 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.0 OUTLIER -59.72 -42.17 92.49 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 105.686 -1.968 . . . . 2.15 105.686 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.42 ' CG ' ' HB1' ' B' ' 31' ' ' ALA . 76.1 mm-40 -68.59 -22.67 64.44 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 117.447 -1.701 . . . . 2.26 108.676 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.92 94.4 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 106.03 -1.841 . . . . 0.65 106.03 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -54.06 50.47 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 123.041 1.4 . . . . 1.67 109.043 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 57.1 mt -56.6 -30.54 32.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 113.07 -1.877 . . . . 1.12 108.297 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' B' ' 19' ' ' THR . 33.7 t -75.86 -26.68 57.34 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.068 -1.053 . . . . 0.7 110.163 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 53.5 mt-10 -68.86 -43.84 74.56 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.5 -2.037 . . . . 2.82 105.5 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -58.87 -51.72 68.79 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 117.614 -1.634 . . . . 0.77 107.602 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.1 -33.63 69.31 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.118 -0.946 . . . . 1.22 109.612 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' B' ' 39' ' ' GLU . 12.0 t-160 -59.08 -55.43 35.21 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.273 -1.33 . . . . 1.21 109.929 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 16.7 t70 -79.14 -17.69 54.56 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 115.812 -2.355 . . . . 1.86 110.021 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.616 -1.994 . . . . 2.24 105.616 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.57 64.24 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 103.945 -2.613 . . . . 0.7 103.945 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.92 -26.39 36.8 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.387 -1.725 . . . . 1.45 107.454 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.511 ' CD ' HH11 ' B' ' 50' ' ' ARG . 46.9 mm-40 -58.9 -35.34 72.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 104.072 -2.566 . . . . 2.02 104.072 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.86 -50.08 58.52 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 117.879 -1.528 . . . . 1.52 107.119 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 64.7 t80 -49.48 -62.65 1.43 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 113.7 -1.591 . . . . 1.4 112.402 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.511 HH11 ' CD ' ' B' ' 47' ' ' GLU . 12.1 ptp180 -58.46 -37.53 75.65 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.773 -0.648 . . . . 2.29 110.309 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 73.1 m -66.94 -25.96 66.6 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 117.219 -1.792 . . . . 2.11 109.757 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . 73.1 m -69.44 -48.46 60.84 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.511 -2.403 . . . . 2.41 104.511 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.55 -22.8 64.05 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 114.418 -1.265 . . . . 1.58 109.51 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.12 -59.07 2.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 117.624 -1.63 . . . . 2.0 110.887 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.4 ttt180 -67.56 -52.29 40.46 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 117.934 -1.507 . . . . 3.65 110.409 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.456 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 15.6 m-85 -64.14 -20.01 65.69 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.339 -1.344 . . . . 3.11 109.503 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.26 19.01 1.91 Allowed Glycine 0 N--CA 1.482 1.712 0 C-N-CA 119.043 -1.551 . . . . 4.85 112.367 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' B' ' 60' ' ' GLY . 16.7 t70 -58.14 -56.58 20.19 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.008 -1.479 . . . . 7.19 107.008 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -85.49 16.68 3.63 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 113.369 -1.741 . . . . 8.62 107.123 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' B' ' 58' ' ' ASP . . . 69.41 23.11 76.57 Favored Glycine 0 C--N 1.298 -1.536 0 N-CA-C 107.885 -2.086 . . . . 9.74 107.885 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.527 ' CD ' ' HZ2' ' B' ' 6' ' ' LYS . 4.5 mm-40 51.83 39.43 25.68 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.71 -0.848 . . . . 10.96 108.71 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -65.21 -37.46 87.36 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 104.912 -2.255 . . . . 12.6 104.912 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.42 ' C ' ' HZ3' ' B' ' 6' ' ' LYS . 42.0 mt . . . . . 0 C--N 1.303 -1.454 0 CA-C-O 113.015 -3.374 . . . . 12.96 102.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.5 mmm . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 107.965 -1.124 . . . . 5.37 107.965 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 m -134.43 168.29 19.2 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 106.5 -1.667 . . . . 4.02 106.5 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -88.86 -25.37 22.2 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 117.045 -1.862 . . . . 4.95 106.568 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -89.99 13.84 13.77 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 105.658 -1.979 . . . . 4.09 105.658 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.452 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 39.3 tt0 -62.31 -65.68 0.65 Allowed 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.13 -1.396 . . . . 2.53 110.127 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -54.49 -37.17 64.98 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.216 -1.811 . . . . 3.78 107.819 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -59.21 -46.69 87.78 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.622 -1.172 . . . . 1.82 109.509 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.68 83.28 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.65 -1.22 . . . . 0.87 109.04 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.09 -23.83 60.58 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 116.763 -1.975 . . . . 2.37 108.755 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.22 -27.55 66.47 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 104.947 -2.242 . . . . 2.15 104.947 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.5 mtp -80.76 -24.36 38.72 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.13 -1.804 . . . . 2.42 106.13 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.29 70.57 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.441 -1.688 . . . . 0.67 106.441 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -60.24 -32.44 71.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 105.995 -1.854 . . . . 3.15 105.995 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -64.83 -36.76 85.36 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.614 -1.634 . . . . 2.71 108.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.56 -40.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 105.785 -1.932 . . . . 0.93 105.785 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.526 ' HG2' ' ND1' ' A' ' 42' ' ' HIS . 9.5 ttt85 -58.0 -50.03 74.79 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 105.73 -1.952 . . . . 2.68 105.73 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 m -55.22 -34.55 64.05 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.581 -1.19 . . . . 0.72 113.267 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -63.47 -46.87 84.19 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.086 -1.846 . . . . 1.8 106.417 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -63.55 -21.23 66.23 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.544 -2.116 . . . . 0.56 109.299 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -69.59 -59.48 2.94 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.845 -2.65 . . . . 1.31 103.845 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -21.55 30.1 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 113.675 -1.602 . . . . 1.02 110.415 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.63 -40.21 23.27 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 117.316 -1.754 . . . . 1.71 107.093 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.2 -59.71 4.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.224 -1.353 . . . . 1.08 110.601 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 2.8 pt-20 -55.1 -49.29 72.09 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.901 -1.12 . . . . 1.84 111.788 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HZ3' ' CD ' ' A' ' 24' ' ' GLU . 9.6 mmtm -58.97 -41.95 88.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.527 -1.269 . . . . 1.86 111.675 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.72 -40.79 98.3 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.368 -1.733 . . . . 1.22 107.64 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.1 -46.6 82.46 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.3 -1.318 . . . . 1.7 108.947 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.0 -26.14 67.4 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 113.919 -1.491 . . . . 2.61 110.653 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.99 25.0 2.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.852 -1.139 . . . . 1.79 108.26 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 51.97 18.72 0.85 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.729 1.268 . . . . 2.45 110.31 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.5 60.54 1.9 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 104.775 -2.306 . . . . 0.89 104.775 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.83 -25.19 62.73 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.321 -1.752 . . . . 2.83 110.121 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 2.3 mp0 -58.91 -50.83 72.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.039 -2.208 . . . . 2.15 105.039 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.44 -25.98 66.18 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 110.953 -2.84 . . . . 2.26 108.407 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.24 79.84 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 117.011 -1.876 . . . . 0.65 107.063 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.27 -57.21 13.19 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.483 -1.287 . . . . 1.67 109.793 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.69 -32.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 114.061 -1.427 . . . . 1.12 108.661 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 117.805 -1.558 . . . . 0.7 110.73 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.69 -48.03 23.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 102.119 -3.289 . . . . 2.82 102.119 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -52.18 -33.83 42.44 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 118.052 -1.459 . . . . 0.77 109.247 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 tp -75.86 -36.6 59.53 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.309 -1.737 . . . . 1.22 106.309 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.526 ' ND1' ' HG2' ' A' ' 16' ' ' ARG . 12.7 t60 -58.85 -63.75 1.18 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.635 -1.62 . . . . 1.21 108.629 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 18.1 t70 -68.95 -18.55 64.1 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 117.392 -1.723 . . . . 1.86 111.376 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -44.63 89.58 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 104.657 -2.349 . . . . 2.24 104.657 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.45 -26.32 68.39 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.538 -1.265 . . . . 0.7 108.142 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' CB ' ' NH1' ' A' ' 16' ' ' ARG . 15.0 t70 -78.56 -31.49 47.38 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 117.51 -1.676 . . . . 1.45 108.444 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.37 -42.59 98.87 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.83 -1.548 . . . . 2.02 112.04 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -69.61 -4.08 17.76 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 116.477 -2.089 . . . . 1.52 110.41 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.43 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 6.9 t80 -115.02 -6.09 12.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 124.716 1.26 . . . . 1.4 108.438 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -108.94 -91.73 0.44 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.005 -0.998 . . . . 2.29 113.376 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -53.91 -40.24 66.51 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 118.306 -1.358 . . . . 2.11 108.801 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.95 -44.19 85.75 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.073 -1.851 . . . . 2.41 107.412 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 26.5 tp -55.56 -24.27 31.54 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 116.535 -2.066 . . . . 1.58 112.014 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' LEU . . . -43.03 -43.91 4.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 125.13 1.519 . . . . 2.0 107.154 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HB3' ' H ' ' A' ' 56' ' ' PHE . 11.5 ttp180 -112.22 -72.16 0.72 Allowed 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 103.562 -2.755 . . . . 3.65 103.562 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CE2' ' HG3' ' A' ' 5' ' ' GLU . 40.7 t80 155.02 59.33 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 102.072 -3.307 . . . . 3.11 102.072 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.37 141.71 12.08 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 106.794 -2.522 . . . . 4.85 106.794 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -148.43 -22.29 0.33 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 114.219 1.192 . . . . 7.19 114.219 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.93 120.3 16.31 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 116.458 -2.097 . . . . 8.62 112.205 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.66 -85.62 0.09 OUTLIER Glycine 0 N--CA 1.481 1.663 0 C-N-CA 119.477 -1.344 . . . . 9.74 111.525 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 72.82 167.33 0.31 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 105.594 -2.002 . . . . 10.96 105.594 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -130.39 136.94 49.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.662 -1.607 . . . . 12.6 106.662 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 63' ' ' LEU . 6.2 mp . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 102.229 -3.248 . . . . 12.96 102.229 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 mtp . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 104.973 -2.232 . . . . 5.37 104.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.56 -171.98 3.79 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 103.908 -2.627 . . . . 4.02 103.908 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -89.85 -61.34 1.71 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.556 -1.258 . . . . 4.95 110.431 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.496 ' CD ' ' H ' ' B' ' 4' ' ' GLN . 0.1 OUTLIER -46.27 -44.35 16.39 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.489 -0.778 . . . . 4.09 112.719 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.411 ' H ' ' HG3' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -69.68 -32.25 70.77 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 117.581 -1.648 . . . . 2.53 110.712 -179.397 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -32.33 73.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.727 -1.953 . . . . 3.78 105.727 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -64.95 -36.82 85.61 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 106.548 -1.649 . . . . 1.82 106.548 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.2 99.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.655 -1.618 . . . . 0.87 107.477 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' B' ' 49' ' ' TYR . 2.6 mm? -61.21 -34.52 75.22 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.595 -1.242 . . . . 2.37 108.618 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -63.58 -31.35 72.49 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 117.945 -1.502 . . . . 2.15 109.266 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 43.3 tpp -66.05 -41.36 90.95 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.427 -1.709 . . . . 2.42 107.661 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.83 80.88 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.545 -1.28 . . . . 0.67 107.545 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.404 HH11 ' C ' ' B' ' 13' ' ' ARG . 44.4 ttp85 -63.4 -32.67 74.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.712 -1.586 . . . . 3.15 107.982 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.581 ' HE1' HE21 ' B' ' 18' ' ' GLN . 14.4 t80 -67.12 -39.52 86.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 118.23 -1.388 . . . . 2.71 109.736 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.57 -48.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 105.744 -1.947 . . . . 0.93 105.744 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.497 HH12 ' HB2' ' B' ' 46' ' ' ASP . 17.0 ttm-85 -50.18 -42.91 52.07 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.26 -1.337 . . . . 2.68 109.497 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -57.05 -50.96 71.14 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.261 -1.376 . . . . 0.72 109.757 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.581 HE21 ' HE1' ' B' ' 14' ' ' PHE . 78.2 mt-30 -61.98 -35.2 77.8 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 117.525 -1.67 . . . . 1.8 110.534 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -55.22 -47.8 74.83 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 118.346 -1.341 . . . . 0.56 107.812 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.25 -36.09 80.97 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.247 -1.381 . . . . 1.31 107.981 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -62.41 -27.2 68.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.193 -1.403 . . . . 1.02 108.602 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.05 -21.87 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.298 -1.361 . . . . 1.71 109.588 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.41 -48.59 74.14 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 105.138 -2.171 . . . . 1.08 105.138 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.491 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 15.2 tt0 -46.78 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 110.943 -2.844 . . . . 1.84 109.474 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 55.9 mttp -55.59 -59.09 5.33 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 111.381 -2.645 . . . . 1.86 113.077 -176.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -51.03 -31.06 17.13 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.068 -1.053 . . . . 1.22 111.282 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -74.26 -56.73 4.55 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 117.735 -1.586 . . . . 1.7 110.0 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' B' ' 30' ' ' ASP . 46.1 mm-40 -62.25 -13.41 27.8 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.205 -0.998 . . . . 2.61 110.152 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -82.86 20.64 1.14 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.45 -0.9 . . . . 1.79 108.583 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' B' ' 28' ' ' GLU . 16.3 t70 55.28 75.49 0.31 Allowed 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.507 1.13 . . . . 2.45 109.039 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.53 71.11 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 112.982 -1.917 . . . . 0.89 106.805 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.76 -29.89 67.11 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.392 -1.336 . . . . 2.83 107.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.74 -62.62 1.73 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.594 -2.002 . . . . 2.15 105.594 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -55.33 -23.7 25.22 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.437 -1.256 . . . . 2.26 110.165 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.69 58.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.569 -1.653 . . . . 0.65 108.529 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.43 -63.65 1.05 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 117.968 -1.493 . . . . 1.67 108.665 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 35.8 mm -44.54 -37.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 125.691 1.869 . . . . 1.12 109.828 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 40.3 t -60.46 -52.91 63.18 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 117.169 -1.812 . . . . 0.7 107.252 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' B' ' 42' ' ' HIS . 28.0 mm-40 -75.87 -4.59 41.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 115.915 -2.314 . . . . 2.82 112.115 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -74.64 -32.86 62.4 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 100.825 -3.768 . . . . 0.77 100.825 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.6 tp -67.08 -45.71 76.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 105.186 -2.153 . . . . 1.22 105.186 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.408 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 4.2 t60 -50.23 -56.61 10.38 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 113.964 -1.471 . . . . 1.21 109.248 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.33 -53.81 48.83 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.719 -1.128 . . . . 1.86 112.04 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.04 -27.4 65.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.556 -1.202 . . . . 2.24 110.587 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.14 67.12 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.36 -1.736 . . . . 0.7 108.154 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.497 ' HB2' HH12 ' B' ' 16' ' ' ARG . 32.5 t0 -72.09 -28.53 63.37 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 116.92 -1.912 . . . . 1.45 107.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.87 -43.53 88.08 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 116.464 -2.094 . . . . 2.02 105.666 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -20.51 66.13 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.065 -1.425 . . . . 1.52 107.63 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.411 ' HA ' ' CD1' ' B' ' 9' ' ' LEU . 79.7 t80 -97.71 -89.58 0.29 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 118.106 -1.438 . . . . 1.4 109.325 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -39.33 -60.54 0.9 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 114.455 1.28 . . . . 2.29 114.455 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.4 m -59.12 -54.37 47.79 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 117.704 -1.598 . . . . 2.11 108.456 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' B' ' 57' ' ' GLY . 58.4 m -71.79 3.27 4.32 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 115.826 -2.35 . . . . 2.41 111.052 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -42.42 11.16 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 115.499 -2.48 . . . . 1.58 106.423 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.13 -42.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 125.233 1.583 . . . . 2.0 111.399 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' B' ' 57' ' ' GLY . 8.5 ttp180 -117.8 -7.81 10.92 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 115.105 -0.952 . . . . 3.65 109.654 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 26.2 t80 63.55 51.95 2.41 Favored 'General case' 0 N--CA 1.485 1.311 1 N-CA-C 90.634 -7.543 . . . . 3.11 90.634 -174.224 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' B' ' 55' ' ' ARG . . . 162.18 158.65 9.69 Favored Glycine 0 C--N 1.292 -1.908 1 N-CA-C 102.586 -4.205 . . . . 4.85 102.586 -179.171 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -38.85 142.41 0.21 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 125.293 1.231 . . . . 7.19 112.833 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' B' ' 60' ' ' GLY . 21.2 t70 -92.41 -106.78 0.11 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 123.928 0.768 . . . . 8.62 111.631 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' B' ' 59' ' ' ASP . . . -70.03 -12.34 68.22 Favored Glycine 0 N--CA 1.478 1.479 0 C-N-CA 119.585 -1.293 . . . . 9.74 111.227 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' B' ' 61' ' ' GLU . 4.7 mp0 -64.1 -42.29 96.94 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.019 -2.215 . . . . 10.96 105.019 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 173.24 158.83 0.12 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 104.174 -2.528 . . . . 12.6 104.174 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.41 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.7 mp . . . . . 0 C--N 1.301 -1.523 0 N-CA-C 104.431 -2.433 . . . . 12.96 104.431 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 108.893 -0.78 . . . . 5.37 108.893 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m -133.8 160.39 37.75 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.441 -1.689 . . . . 4.02 106.441 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -46.49 84.6 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 106.103 -1.814 . . . . 4.95 106.103 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -51.22 -46.72 62.33 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.302 -0.959 . . . . 4.09 110.459 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 81.1 mt-10 -57.75 -44.02 85.79 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 124.444 1.09 . . . . 2.53 110.235 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.06 -33.43 74.37 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.605 -1.257 . . . . 3.78 107.605 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 m -74.15 -33.29 63.45 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.249 -1.38 . . . . 1.82 107.464 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.55 70.71 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.298 -0.961 . . . . 0.87 109.827 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 mt -74.01 -50.92 17.63 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.825 -1.55 . . . . 2.37 108.464 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.46 -34.53 66.97 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.134 -1.432 . . . . 2.15 107.134 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.579 ' SD ' HD13 ' B' ' 22' ' ' LEU . 12.4 tmm? -69.08 -46.66 67.22 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.462 -1.245 . . . . 2.42 109.894 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.82 71.55 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.653 -1.219 . . . . 0.67 108.402 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -70.99 -32.95 69.93 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 105.117 -2.179 . . . . 3.15 105.117 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -67.33 -44.02 80.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.102 -1.439 . . . . 2.71 108.483 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.3 -40.45 81.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 106.024 -1.843 . . . . 0.93 106.024 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.82 -33.33 75.44 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.428 -1.709 . . . . 2.68 107.982 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 m -66.05 -35.66 81.14 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 106.809 -1.552 . . . . 0.72 106.809 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.02 -34.67 73.57 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.512 -1.675 . . . . 1.8 107.91 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -64.84 -24.86 67.67 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 117.946 -1.502 . . . . 0.56 107.203 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -48.88 56.04 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 102.035 -3.32 . . . . 1.31 102.035 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 114.43 -1.259 . . . . 1.02 109.765 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 83.6 mt -85.02 -38.51 19.12 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.264 -1.375 . . . . 1.71 107.649 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.58 -35.0 75.01 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.154 -1.795 . . . . 1.08 106.154 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -61.82 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 112.973 -1.921 . . . . 1.84 107.456 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -45.74 -40.92 10.08 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.31 -1.768 . . . . 1.86 114.41 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.57 -42.85 86.42 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 116.721 -1.992 . . . . 1.22 107.848 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -66.07 -55.73 15.07 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 117.706 -1.598 . . . . 1.7 112.573 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.56 -33.2 73.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 117.858 -1.537 . . . . 2.61 111.416 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.7 mp -86.19 21.67 1.97 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.69 -1.604 . . . . 1.79 111.695 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.1 t70 54.39 75.22 0.3 Allowed 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.518 1.152 . . . . 2.45 110.025 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -146.33 55.45 1.15 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 101.966 -3.346 . . . . 0.89 101.966 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -52.36 -49.5 64.22 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 112.442 -2.163 . . . . 2.83 113.325 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.31 -32.77 73.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 117.023 -1.871 . . . . 2.15 108.767 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.3 -25.5 62.46 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 117.071 -1.851 . . . . 2.26 106.079 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -53.35 31.28 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.076 -1.824 . . . . 0.65 106.076 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -45.12 -56.0 5.16 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 122.68 1.229 . . . . 1.67 110.367 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.04 -39.1 77.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-N 113.774 -1.557 . . . . 1.12 109.317 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 22' ' ' LEU . 41.2 t -68.23 -30.83 69.98 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.178 -1.009 . . . . 0.7 112.221 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -42.78 63.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.489 -1.671 . . . . 2.82 106.489 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 m -63.29 -30.94 71.98 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.882 -1.525 . . . . 0.77 106.882 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -74.43 -29.56 61.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.11 -1.441 . . . . 1.22 107.11 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -64.32 -49.11 73.05 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.042 -1.436 . . . . 1.21 108.322 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.2 -42.58 93.42 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.128 -1.429 . . . . 1.86 107.939 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -58.68 -31.74 68.48 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 113.733 -1.576 . . . . 2.24 109.265 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.531 -2.026 . . . . 0.7 105.531 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -75.37 -20.99 58.66 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.241 -1.784 . . . . 1.45 106.322 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 13.0 tp10 -72.06 -39.19 69.23 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 104.548 -2.39 . . . . 2.02 104.548 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.8 tp -63.97 -12.19 35.42 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.818 -1.549 . . . . 1.52 106.818 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -97.4 -31.45 12.37 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.522 -1.658 . . . . 1.4 106.522 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 47' ' ' GLU . 31.3 mtm-85 -77.59 -63.44 1.38 Allowed 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 112.834 0.679 . . . . 2.29 112.834 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 p -54.36 -41.08 68.73 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.425 -1.31 . . . . 2.11 109.613 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 96.9 m -62.65 -45.69 91.67 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.566 -1.654 . . . . 2.41 108.137 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.39 -24.7 66.68 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.486 -1.286 . . . . 1.58 109.089 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.48 -40.63 76.95 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 116.884 -1.926 . . . . 2.0 107.128 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -79.29 -20.32 48.3 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 117.445 -1.702 . . . . 3.65 111.22 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 52' ' ' CYS . 16.8 m-30 -89.5 -22.43 22.46 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 118.418 -1.313 . . . . 3.11 109.428 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.44 72.45 1.3 Allowed Glycine 0 N--CA 1.48 1.572 0 N-CA-C 105.654 -2.978 . . . . 4.85 105.654 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.3 135.82 57.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.121 -1.807 . . . . 7.19 106.121 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HB3' ' H ' ' A' ' 63' ' ' LEU . 13.2 t70 -76.57 -42.58 42.21 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 102.956 -2.979 . . . . 8.62 102.956 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 85.46 -50.42 4.34 Favored Glycine 0 N--CA 1.479 1.504 0 CA-C-N 113.082 -1.872 . . . . 9.74 111.282 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -82.22 7.25 14.23 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 118.628 -1.229 . . . . 10.96 110.87 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -165.62 -40.78 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.419 -1.697 . . . . 12.6 106.419 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' H ' ' HB3' ' A' ' 59' ' ' ASP . 61.7 mt . . . . . 0 C--N 1.301 -1.524 0 N-CA-C 101.945 -3.354 . . . . 12.96 101.945 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.592 ' H2 ' ' CG ' ' B' ' 58' ' ' ASP . 66.6 mmm . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.033 -1.099 . . . . 5.37 108.033 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 40.8 p -152.25 -175.59 5.32 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.845 -1.539 . . . . 4.02 106.845 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -8.48 58.19 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.045 -1.062 . . . . 4.95 113.14 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.63 -44.84 93.33 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 106.498 -1.668 . . . . 4.09 106.498 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.552 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 32.8 mt-10 -57.18 -47.9 80.07 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 111.949 -2.387 . . . . 2.53 108.733 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.62 -35.2 73.88 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.259 -1.337 . . . . 3.78 108.982 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -63.53 -44.4 94.37 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.138 -1.43 . . . . 1.82 107.138 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.93 72.27 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.689 -1.204 . . . . 0.87 108.965 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.81 -44.84 90.93 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.383 -1.71 . . . . 2.37 106.383 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -66.75 -31.08 71.49 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 114.251 -1.341 . . . . 2.15 110.357 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 37.8 mmt -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.503 -1.679 . . . . 2.42 108.343 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.52 92.86 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.754 -1.578 . . . . 0.67 107.453 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -62.76 -30.03 71.13 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 118.638 -1.225 . . . . 3.15 109.499 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.21 -55.72 25.78 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.291 -1.364 . . . . 2.71 109.216 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.15 -31.95 27.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 112.881 -1.963 . . . . 0.93 108.056 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.575 ' CZ ' ' HB2' ' B' ' 16' ' ' ARG . 23.9 ttm105 -65.53 -47.98 74.05 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 118.378 -1.329 . . . . 2.68 110.038 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -54.64 -47.41 73.54 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.085 -0.961 . . . . 0.72 111.041 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -66.41 -43.94 84.34 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 115.523 -2.471 . . . . 1.8 109.198 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -54.1 -33.71 58.34 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.123 -1.031 . . . . 0.56 109.867 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.97 -56.53 19.98 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.155 -1.795 . . . . 1.31 106.155 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -61.95 -26.78 68.4 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.169 -1.012 . . . . 1.02 111.046 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.579 HD13 ' SD ' ' A' ' 11' ' ' MET . 66.5 mt -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.477 -1.289 . . . . 1.71 109.584 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 23' ' ' LEU . 3.1 tm? -55.07 -47.81 74.38 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.005 -2.591 . . . . 1.08 104.005 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.501 ' HA ' ' ND2' ' B' ' 27' ' ' ASN . 35.0 tt0 -56.96 -42.65 80.53 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 112.552 -2.113 . . . . 1.84 108.099 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.423 ' N ' ' HZ3' ' B' ' 25' ' ' LYS . 6.4 mmtm -62.36 -30.17 70.99 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 117.353 -1.739 . . . . 1.86 110.756 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 26' ' ' LEU . 4.2 mm? -70.74 -43.95 67.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 115.796 -2.362 . . . . 1.22 106.827 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.501 ' ND2' ' HA ' ' B' ' 24' ' ' GLU . 7.2 p30 -75.81 -11.44 59.98 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 117.8 -1.56 . . . . 1.7 109.795 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' B' ' 30' ' ' ASP . 42.2 tt0 -71.93 -46.59 57.05 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.686 -2.709 . . . . 2.61 103.686 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' B' ' 31' ' ' ALA . 39.0 mt -89.99 40.04 0.99 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.44 -1.709 . . . . 1.79 107.196 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' B' ' 28' ' ' GLU . 5.1 p-10 34.21 21.03 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 126.809 2.568 . . . . 2.45 114.585 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.69 63.99 4.78 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 103.318 -2.845 . . . . 0.89 103.318 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.37 -27.28 68.45 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.021 -1.445 . . . . 2.83 108.919 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.4 mp0 -63.92 -50.17 69.77 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 104.732 -2.322 . . . . 2.15 104.732 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.463 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -69.18 -14.67 63.11 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 116.341 -2.144 . . . . 2.26 109.069 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.94 69.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.209 -2.145 . . . . 0.65 105.209 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.39 -47.35 84.17 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 117.843 -1.543 . . . . 1.67 108.737 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.05 -33.61 43.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 113.918 -1.492 . . . . 1.12 107.864 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.74 -38.58 86.93 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.167 -1.79 . . . . 0.7 106.167 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.56 -19.29 60.39 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.177 -1.809 . . . . 2.82 109.272 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -68.73 -37.46 79.47 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 101.846 -3.39 . . . . 0.77 101.846 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.03 -40.06 87.14 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 106.636 -1.616 . . . . 1.22 106.636 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -53.64 -59.94 3.95 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.52 -0.764 . . . . 1.21 110.039 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.76 -44.73 84.99 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.893 1.071 . . . . 1.86 113.893 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.24 -23.51 65.72 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.482 -1.687 . . . . 2.24 108.898 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.3 -24.0 46.89 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 103.629 -2.73 . . . . 0.7 103.629 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.535 ' HA ' ' CZ ' ' B' ' 16' ' ' ARG . 8.3 t70 -80.0 -18.69 49.61 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 105.767 -1.938 . . . . 1.45 105.767 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' B' ' 49' ' ' TYR . 19.0 mm-40 -65.58 -26.56 67.91 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 104.459 -2.422 . . . . 2.02 104.459 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -83.82 38.48 0.64 Allowed 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.109 -1.812 . . . . 1.52 106.109 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' B' ' 47' ' ' GLU . 30.3 t80 -148.58 -43.94 0.15 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 100.975 -3.713 . . . . 1.4 100.975 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.516 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 41.4 mtm-85 -74.55 -70.01 0.43 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 105.866 -1.901 . . . . 2.29 105.866 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.8 m -57.29 -38.75 74.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.433 -1.258 . . . . 2.11 108.264 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 65.4 m -63.37 -35.83 81.71 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 116.206 -2.198 . . . . 2.41 109.972 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -71.25 -23.22 61.95 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.172 -1.411 . . . . 1.58 107.973 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.59 69.37 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.129 -1.828 . . . . 2.0 108.538 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -101.48 -29.49 11.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.323 -1.351 . . . . 3.65 108.945 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.552 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 13.8 m-30 -91.73 13.96 16.68 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 115.513 -0.767 . . . . 3.11 109.883 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.53 39.18 2.79 Favored Glycine 0 N--CA 1.485 1.906 0 N-CA-C 109.064 -1.614 . . . . 4.85 109.064 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.592 ' CG ' ' H2 ' ' B' ' 1' ' ' MET . 6.8 p-10 -104.69 -174.38 2.52 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 103.881 -2.637 . . . . 7.19 103.881 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -160.63 142.8 12.67 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 104.218 -2.512 . . . . 8.62 104.218 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.79 21.25 0.2 Allowed Glycine 0 C--N 1.29 -2.017 0 N-CA-C 104.494 -3.442 . . . . 9.74 104.494 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.24 -9.34 1.13 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.151 -1.02 . . . . 10.96 111.186 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -71.52 156.76 39.06 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 117.15 -1.82 . . . . 12.6 106.613 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 65.8 tp . . . . . 0 C--N 1.303 -1.416 0 N-CA-C 103.979 -2.6 . . . . 12.96 103.979 179.564 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mtp . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 104.46 -2.422 . . . . 5.37 104.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.489 ' H ' ' CD ' ' A' ' 5' ' ' GLU 0.25 0.0 OUTLIER -146.03 -148.31 0.24 Allowed 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 104.304 -2.48 . . . . 4.02 104.304 -178.397 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -90.05 -91.59 0.14 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.113 -1.035 . . . . 4.95 111.027 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -80.67 17.83 1.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 113.353 0.872 . . . . 4.09 113.353 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 2' ' ' THR . 7.3 pm0 -71.94 -35.34 69.58 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 103.833 -2.654 . . . . 2.53 103.833 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -61.95 -38.07 87.1 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.183 -1.414 . . . . 3.78 107.183 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 m -56.98 -44.07 82.33 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.65 -1.22 . . . . 1.82 109.099 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -57.52 11.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.874 -1.53 . . . . 0.87 109.766 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.41 -12.81 59.07 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.666 -1.152 . . . . 2.37 111.677 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.562 -1.655 . . . . 2.15 106.753 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmm -68.31 -41.16 81.27 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 105.98 -1.859 . . . . 2.42 105.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.15 73.62 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.669 -1.212 . . . . 0.67 108.544 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 36.4 ttp180 -62.17 -43.77 98.08 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 106.175 -1.787 . . . . 3.15 106.175 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.44 ' CE1' ' NH2' ' A' ' 13' ' ' ARG . 23.5 m-85 -62.04 -37.44 84.96 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 117.268 -1.773 . . . . 2.71 108.851 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -59.6 -41.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 C-N-CA 116.859 -1.936 . . . . 0.93 107.439 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.558 HH21 ' CG ' ' A' ' 42' ' ' HIS . 22.8 ttt85 -61.14 -36.63 80.28 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.642 -1.623 . . . . 2.68 107.588 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.42 -40.5 95.89 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.289 -1.364 . . . . 0.72 109.337 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.35 -33.01 74.33 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.054 -1.459 . . . . 1.8 108.322 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.7 m -64.82 -28.18 69.39 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.012 -1.477 . . . . 0.56 107.012 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.72 -51.44 64.96 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 103.308 -2.849 . . . . 1.31 103.308 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 m -53.11 -35.25 59.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.211 -1.396 . . . . 1.02 110.021 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.08 -45.03 90.52 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 116.726 -1.989 . . . . 1.71 107.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.29 -48.83 45.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 124.321 1.013 . . . . 1.08 108.486 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 78.4 mt-10 -51.96 -68.08 0.2 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.816 -1.538 . . . . 1.84 110.696 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -49.43 -40.64 37.39 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 113.925 -1.488 . . . . 1.86 111.178 -177.567 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.36 -39.21 92.03 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 118.471 -1.292 . . . . 1.22 110.102 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -66.1 -44.66 83.74 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 117.748 -1.581 . . . . 1.7 108.519 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.13 -46.2 86.03 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.241 -1.345 . . . . 2.61 111.668 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.1 mp -89.71 24.4 2.36 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.719 -1.192 . . . . 1.79 112.455 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.8 t0 48.44 70.72 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 122.92 1.343 . . . . 2.45 111.598 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.73 60.8 1.69 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 102.377 -3.194 . . . . 0.89 102.377 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.86 -47.54 84.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.894 -1.503 . . . . 2.83 113.076 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -40.34 85.29 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 117.091 -1.844 . . . . 2.15 109.111 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -72.9 -22.41 60.75 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 116.978 -1.889 . . . . 2.26 107.382 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.68 78.23 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 105.662 -1.977 . . . . 0.65 105.662 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.66 -53.76 53.9 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.596 -1.242 . . . . 1.67 110.514 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.71 -32.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 117.965 -1.494 . . . . 1.12 107.268 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.45 -29.64 65.1 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 117.674 -1.61 . . . . 0.7 109.393 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.2 -53.4 9.9 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.053 0.93 . . . . 2.82 109.277 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 p -56.74 -34.03 67.14 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 118.279 -1.368 . . . . 0.77 107.607 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -75.13 -35.32 61.7 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.84 -1.144 . . . . 1.22 108.249 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CG ' HH21 ' A' ' 16' ' ' ARG . 1.3 t60 -51.25 -46.18 62.27 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 113.86 -1.518 . . . . 1.21 107.813 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' CG ' HH22 ' A' ' 16' ' ' ARG . 4.3 m-20 -90.92 -21.3 21.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.997 -1.081 . . . . 1.86 112.32 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.97 -39.68 94.68 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.044 -1.836 . . . . 2.24 106.044 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.63 -15.06 63.12 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 113.451 -1.704 . . . . 0.7 107.77 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 10.3 t70 -85.05 -28.59 25.57 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.848 -1.541 . . . . 1.45 107.239 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.12 -48.39 81.84 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 116.22 -2.192 . . . . 2.02 108.584 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.585 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 4.2 pp -67.03 -9.36 38.27 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.472 -1.691 . . . . 1.52 109.832 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -94.5 -77.57 0.46 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.25 -0.887 . . . . 1.4 109.094 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -68.74 -55.03 12.64 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 115.748 1.759 . . . . 2.29 115.748 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 m -50.18 -45.91 53.87 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.179 -1.408 . . . . 2.11 108.839 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' A' ' 48' ' ' LEU . 99.7 m -65.24 -48.63 72.62 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 117.876 -1.529 . . . . 2.41 107.959 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 tp -48.81 -21.61 0.66 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.743 -0.783 . . . . 1.58 111.787 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.5 -55.75 17.23 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 104.859 -2.275 . . . . 2.0 104.859 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 57' ' ' GLY . 63.7 ttt-85 -90.88 -75.4 0.47 Allowed 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 103.029 -2.952 . . . . 3.65 103.029 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 5' ' ' GLU . 52.9 t80 154.39 66.13 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.76 1 N-CA-C 97.617 -4.957 . . . . 3.11 97.617 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA3' ' NE2' ' B' ' 34' ' ' GLN . . . 48.07 -143.97 6.63 Favored Glycine 0 N--CA 1.481 1.651 0 N-CA-C 108.355 -1.898 . . . . 4.85 108.355 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' B' ' 33' ' ' GLU . 0.3 OUTLIER 21.39 -159.64 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 128.745 3.262 . . . . 7.19 118.298 178.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' CG ' ' H ' ' A' ' 60' ' ' GLY . 18.0 t0 -163.0 -167.63 1.55 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 102.552 -3.129 . . . . 8.62 102.552 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.556 ' H ' ' CG ' ' A' ' 59' ' ' ASP . . . 141.51 -16.35 2.68 Favored Glycine 0 C--N 1.297 -1.594 0 N-CA-C 104.474 -3.451 . . . . 9.74 104.474 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 61' ' ' GLU . 16.9 mp0 -93.6 -32.16 14.22 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.024 -1.473 . . . . 10.96 107.024 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -81.99 155.49 25.16 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.778 -1.934 . . . . 12.6 105.778 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.302 -1.5 0 CA-C-O 114.365 -2.731 . . . . 12.96 107.545 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.409 ' H2 ' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 103.518 -2.771 . . . . 5.37 103.518 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.544 ' H ' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -139.65 -179.88 6.17 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 104.317 -2.475 . . . . 4.02 104.317 -178.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -90.06 -28.39 19.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 105.575 -2.009 . . . . 4.95 105.575 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -44.72 -55.47 5.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 124.227 0.954 . . . . 4.09 111.416 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' B' ' 56' ' ' PHE . 8.7 pt-20 -53.44 -41.24 65.88 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 114.285 -1.325 . . . . 2.53 110.287 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -63.29 -38.25 90.41 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.4 -1.333 . . . . 3.78 107.4 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -63.51 -33.33 75.33 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.963 -1.017 . . . . 1.82 108.375 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.6 93.33 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 105.601 -2.0 . . . . 0.87 105.601 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.18 -28.7 68.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.47 -2.092 . . . . 2.37 109.403 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -61.38 -31.66 71.56 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 117.253 -1.779 . . . . 2.15 107.184 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 52.8 tpp -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.222 -1.77 . . . . 2.42 106.222 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.07 -34.14 71.61 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.37 -1.332 . . . . 0.67 109.584 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.426 ' NH1' ' CD2' ' B' ' 49' ' ' TYR . 0.3 OUTLIER -64.43 -39.92 94.75 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.112 -1.435 . . . . 3.15 107.504 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -65.67 -42.24 91.54 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.963 -1.495 . . . . 2.71 109.761 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.44 -24.86 36.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 106.554 -1.647 . . . . 0.93 106.554 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CD2' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -73.78 -41.48 62.36 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.908 -1.515 . . . . 2.68 106.908 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -60.22 -40.56 90.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.638 -1.986 . . . . 0.72 105.638 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.67 -44.83 73.68 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 118.436 -1.306 . . . . 1.8 108.499 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -55.12 -52.33 63.59 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 124.387 1.055 . . . . 0.56 108.358 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.5 -0.88 . . . . 1.31 110.584 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -63.47 -31.47 72.64 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.206 -1.398 . . . . 1.02 108.915 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.25 -37.64 63.72 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 115.6 -2.44 . . . . 1.71 106.793 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 tp -47.92 -51.24 24.15 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.746 -1.205 . . . . 1.08 107.746 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -49.97 -67.92 0.22 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 112.938 -1.937 . . . . 1.84 110.411 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 1.3 mptp? -63.45 -19.04 64.38 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.312 -1.355 . . . . 1.86 113.941 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.94 -29.28 43.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 104.975 -2.231 . . . . 1.22 104.975 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -68.96 -40.59 78.81 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.653 -1.98 . . . . 1.7 105.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -67.05 -28.39 68.16 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.957 -1.02 . . . . 2.61 109.262 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.08 14.77 11.53 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.264 -0.974 . . . . 1.79 109.317 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.23 18.97 0.66 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 123.952 0.782 . . . . 2.45 111.856 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 85.29 7.06 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 104.486 -2.413 . . . . 0.89 104.486 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' B' ' 33' ' ' GLU . 9.0 p-10 -69.09 -43.91 73.57 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 124.179 0.925 . . . . 2.83 111.355 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 27.2 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.163 -1.415 . . . . 2.15 107.374 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.433 ' NE2' ' HA3' ' A' ' 57' ' ' GLY . 19.4 mm-40 -57.62 -34.04 68.87 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 117.581 -1.648 . . . . 2.26 109.076 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -58.1 6.75 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.912 -1.515 . . . . 0.65 112.37 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.71 -58.36 8.89 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.79 -1.564 . . . . 1.67 111.381 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 mt -53.03 -33.39 19.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.346 -1.342 . . . . 1.12 110.074 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.62 -50.08 75.26 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.636 -2.026 . . . . 0.7 106.72 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' B' ' 42' ' ' HIS . 46.1 mm-40 -74.71 -13.93 60.67 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 116.63 -2.028 . . . . 2.82 112.009 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.9 m -70.37 -32.11 69.65 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 102.089 -3.3 . . . . 0.77 102.089 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -34.82 64.7 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 105.059 -2.201 . . . . 1.22 105.059 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.559 ' CD2' ' HG3' ' B' ' 16' ' ' ARG . 3.4 t-160 -53.21 -57.74 9.46 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.015 -1.074 . . . . 1.21 109.616 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.52 -53.86 51.11 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.246 -1.382 . . . . 1.86 114.281 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -61.56 -35.73 78.61 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.107 -1.837 . . . . 2.24 110.774 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' B' ' 16' ' ' ARG . . . -70.67 -19.06 62.82 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.226 -1.39 . . . . 0.7 107.581 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -90.27 -20.39 23.01 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.452 -1.684 . . . . 1.45 106.452 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.87 -48.75 77.65 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 104.508 -2.404 . . . . 2.02 104.508 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -52.06 -26.72 11.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 125.448 1.717 . . . . 1.52 108.665 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.426 ' CD2' ' NH1' ' B' ' 13' ' ' ARG . 90.5 t80 -85.59 -77.66 0.29 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.267 -1.373 . . . . 1.4 109.963 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -31.38 -90.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 121.018 3.711 . . . . 2.29 121.018 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -51.03 -41.83 60.06 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.003 0.906 . . . . 2.11 110.928 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 63.4 m -69.38 -29.61 67.41 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 117.08 -1.848 . . . . 2.41 110.223 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.72 -30.73 71.44 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 115.772 -2.371 . . . . 1.58 106.519 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.89 -45.95 1.92 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 125.91 2.006 . . . . 2.0 111.296 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -118.59 -58.08 2.0 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 123.287 1.517 . . . . 3.65 108.156 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' B' ' 5' ' ' GLU . 91.6 t80 143.47 81.72 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 1 N-CA-C 96.475 -5.38 . . . . 3.11 96.475 -179.328 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.7 -66.93 0.51 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 107.884 -2.086 . . . . 4.85 107.884 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.64 155.24 38.45 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.796 -1.557 . . . . 7.19 106.796 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -104.16 -110.88 0.25 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.569 -1.641 . . . . 8.62 106.569 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.58 145.31 24.99 Favored Glycine 0 C--N 1.3 -1.429 0 N-CA-C 105.474 -3.05 . . . . 9.74 105.474 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -19.29 82.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 126.476 1.927 . . . . 10.96 114.793 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -119.1 153.29 35.04 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 103.569 -2.752 . . . . 12.6 103.569 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 ' N ' ' B' ' 63' ' ' LEU . 2.1 pt? . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 114.362 -2.732 . . . . 12.96 105.212 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.479 ' H3 ' ' CD ' ' A' ' 5' ' ' GLU . 6.6 tmm? . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 104.388 -2.449 . . . . 5.37 104.388 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.36 -151.63 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 112.826 -1.988 . . . . 4.02 109.764 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -89.95 -32.06 16.98 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.384 -0.926 . . . . 4.95 109.936 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.534 ' CD ' ' H ' ' A' ' 4' ' ' GLN . 2.3 mp0 -54.47 -57.82 9.87 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 120.132 -0.627 . . . . 4.09 110.592 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.479 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 17.4 mp0 -55.17 -40.81 71.09 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.577 -1.192 . . . . 2.53 108.02 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.29 -33.2 72.01 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 117.125 -1.83 . . . . 3.78 108.4 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 m -65.44 -35.6 81.4 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 106.029 -1.841 . . . . 1.82 106.029 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.55 72.81 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 117.371 -1.732 . . . . 0.87 107.159 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.73 -23.61 66.13 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.154 -1.425 . . . . 2.37 107.154 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 10' ' ' ASN . 1.2 m-80 -63.21 -30.2 71.39 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 117.552 -1.659 . . . . 2.15 108.175 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.403 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 52.1 ttm -63.98 -45.85 87.23 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.041 -1.837 . . . . 2.42 106.041 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.53 73.14 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.639 -1.164 . . . . 0.67 108.498 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.58 -38.15 86.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.86 -1.136 . . . . 3.15 107.974 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 13.2 m-85 -64.84 -36.66 85.05 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.265 -1.374 . . . . 2.71 109.958 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.37 -48.89 85.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 106.93 -1.507 . . . . 0.93 106.93 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 46' ' ' ASP . 9.1 tmm_? -62.79 -37.55 87.15 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.944 -1.48 . . . . 2.68 110.047 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -64.69 -33.57 76.26 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.493 -1.683 . . . . 0.72 107.46 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.07 -35.15 79.79 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.151 -1.796 . . . . 1.8 106.151 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -59.2 -27.06 65.37 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.729 -1.588 . . . . 0.56 109.05 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.76 -45.04 94.56 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.672 -1.973 . . . . 1.31 105.672 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -58.89 -30.38 67.73 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.875 -1.057 . . . . 1.02 109.757 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.52 -34.24 73.98 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 117.09 -1.844 . . . . 1.71 107.735 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.07 97.79 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 117.643 -1.623 . . . . 1.08 107.027 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -52.14 -68.1 0.2 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.964 1.415 . . . . 1.84 110.114 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -54.44 -49.15 70.7 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.846 -1.525 . . . . 1.86 113.189 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.01 -34.93 74.02 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 117.402 -1.719 . . . . 1.22 109.098 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 118.695 -1.202 . . . . 1.7 109.264 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -71.07 -25.0 62.44 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.545 -0.909 . . . . 2.61 108.545 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mp -90.01 15.07 10.71 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.956 -1.02 . . . . 1.79 109.124 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t0 48.3 32.82 3.37 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.994 1.434 . . . . 2.45 108.44 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 63.5 3.93 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 104.812 -2.292 . . . . 0.89 104.812 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -44.05 -58.05 3.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 125.607 1.817 . . . . 2.83 112.033 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 33' ' ' GLU . 1.5 pt-20 -52.9 -54.15 38.92 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.264 -1.374 . . . . 2.15 111.658 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.1 -19.03 65.71 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 116.33 -2.148 . . . . 2.26 110.081 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.06 65.72 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.638 -1.986 . . . . 0.65 105.638 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.78 -51.79 67.57 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.456 1.122 . . . . 1.67 109.456 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.7 mm -57.13 -33.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 113.701 -1.591 . . . . 1.12 107.11 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.68 -32.05 69.16 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 117.759 -1.576 . . . . 0.7 109.374 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.66 -58.77 4.92 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.06 -1.83 . . . . 2.82 106.06 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -53.39 -32.92 51.74 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 113.687 -1.597 . . . . 0.77 110.829 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.67 -36.76 62.8 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.227 -0.989 . . . . 1.22 108.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.51 -47.63 84.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.238 -1.801 . . . . 1.21 107.846 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.79 -55.17 28.87 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.828 -1.078 . . . . 1.86 110.158 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -53.07 -41.46 64.9 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 114.312 -1.313 . . . . 2.24 111.457 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.425 -1.31 . . . . 0.7 108.057 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 29.4 t0 -79.82 -22.78 42.62 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.192 -1.403 . . . . 1.45 107.771 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -69.25 -31.14 69.48 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 116.931 -1.908 . . . . 2.02 107.95 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.53 -31.86 68.33 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.046 -1.835 . . . . 1.52 106.046 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' HD22 ' A' ' 53' ' ' LEU . 91.3 t80 -85.63 -94.39 0.08 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 103.311 -2.848 . . . . 1.4 103.311 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HE ' ' HB2' ' A' ' 50' ' ' ARG . 17.9 ttm180 -2.7 -100.38 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 1 N-CA-C 122.57 4.285 . . . . 2.29 122.57 179.583 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -53.43 -33.24 53.28 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.447 -1.301 . . . . 2.11 110.706 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HA ' ' N ' ' A' ' 58' ' ' ASP . 74.7 m -74.92 -33.15 61.95 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 116.188 -2.205 . . . . 2.41 107.613 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD22 ' CZ ' ' A' ' 49' ' ' TYR . 53.5 tp -54.28 -32.96 57.61 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.001 -1.481 . . . . 1.58 107.001 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.94 -70.35 0.11 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 126.595 2.434 . . . . 2.0 110.994 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -82.64 -54.25 5.29 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 105.285 -2.117 . . . . 3.65 105.285 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 86.6 t80 134.15 86.88 0.0 OUTLIER 'General case' 0 C--N 1.29 -2.007 1 N-CA-C 99.912 -4.107 . . . . 3.11 99.912 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.22 3.52 38.51 Favored Glycine 0 C--N 1.29 -1.99 0 C-N-CA 117.436 -2.316 . . . . 4.85 108.042 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' HA ' ' A' ' 52' ' ' CYS . 11.1 t70 61.98 -147.57 0.39 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 102.476 -3.157 . . . . 7.19 102.476 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.597 ' CG ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER 50.69 -165.08 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 125.469 1.731 . . . . 8.62 109.988 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.597 ' N ' ' CG ' ' A' ' 59' ' ' ASP . . . -125.28 -49.07 0.2 Allowed Glycine 0 N--CA 1.48 1.591 0 C-N-CA 119.775 -1.202 . . . . 9.74 112.066 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -94.8 10.26 35.9 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 116.308 1.966 . . . . 10.96 116.308 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' CG ' ' H ' ' A' ' 63' ' ' LEU . 59.4 t30 -77.72 -174.38 3.43 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 105.733 -1.951 . . . . 12.6 105.733 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 63' ' ' LEU . 2.5 mm? . . . . . 0 C--N 1.301 -1.538 0 CA-C-O 114.274 -2.774 . . . . 12.96 107.197 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.408 ' H3 ' ' CD ' ' B' ' 5' ' ' GLU . 72.2 mtm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 102.618 -3.104 . . . . 5.37 102.618 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -160.91 0.15 Allowed 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 112.034 -2.348 . . . . 4.02 104.727 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -90.04 -33.34 16.36 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 118.523 -1.271 . . . . 4.95 110.111 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' B' ' 5' ' ' GLU . 2.2 pm0 -53.03 -48.98 67.17 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 118.769 -1.172 . . . . 4.09 112.732 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 56' ' ' PHE . 4.6 mp0 -63.62 -33.85 76.54 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.583 -1.266 . . . . 2.53 107.583 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.47 -29.76 69.95 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 116.627 -2.029 . . . . 3.78 107.963 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -69.83 -30.69 68.25 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.97 -1.863 . . . . 1.82 105.97 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.53 78.46 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 103.885 -2.635 . . . . 0.87 103.885 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.91 -28.84 65.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.599 -1.63 . . . . 2.37 106.599 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.18 -22.06 65.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.687 -1.605 . . . . 2.15 108.929 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.99 -38.97 83.31 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 105.599 -2.001 . . . . 2.42 105.599 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.59 74.25 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.499 -1.667 . . . . 0.67 106.499 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -64.42 -40.63 96.15 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.124 -1.831 . . . . 3.15 106.59 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -60.84 -38.01 84.04 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.454 -1.699 . . . . 2.71 108.855 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.59 -45.5 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 106.252 -1.758 . . . . 0.93 106.252 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.604 HH21 ' CD2' ' B' ' 42' ' ' HIS . 22.3 ttt180 -58.85 -39.57 81.7 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.164 -1.415 . . . . 2.68 109.172 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.8 m -60.94 -44.97 96.49 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.01 -1.076 . . . . 0.72 110.637 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.27 -42.92 99.17 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 117.335 -1.746 . . . . 1.8 107.504 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 45.3 m -56.35 -32.36 64.63 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.783 -1.099 . . . . 0.56 109.327 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.39 -46.03 81.66 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 117.627 -1.629 . . . . 1.31 107.323 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -54.28 -43.16 70.78 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.455 -1.248 . . . . 1.02 108.696 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.86 -28.45 62.53 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.175 -1.41 . . . . 1.71 109.813 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.65 -54.07 49.74 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.193 -1.41 . . . . 1.08 107.193 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.77 -58.49 7.27 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 112.978 -1.919 . . . . 1.84 111.303 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -58.59 -36.35 73.86 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 117.149 -1.82 . . . . 1.86 113.144 -178.176 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.49 -34.82 79.16 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 116.637 -2.025 . . . . 1.22 105.837 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -61.02 -39.92 91.61 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.562 -1.199 . . . . 1.7 108.329 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -66.08 -26.78 67.64 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 118.886 -1.126 . . . . 2.61 109.504 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.98 22.48 3.18 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.762 -1.175 . . . . 1.79 108.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 52.08 21.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.82 1.325 . . . . 2.45 108.576 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.12 57.53 1.27 Allowed 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.109 -1.811 . . . . 0.89 106.109 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.24 -22.7 65.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.093 -1.412 . . . . 2.83 111.918 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -30.13 61.51 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 116.338 -2.145 . . . . 2.15 106.903 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -76.63 -28.47 56.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 103.767 -2.679 . . . . 2.26 103.767 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.96 71.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.898 -1.889 . . . . 0.65 105.898 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.53 -58.5 7.35 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.768 -1.173 . . . . 1.67 109.543 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.95 -33.33 49.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 CA-C-N 114.061 -1.427 . . . . 1.12 107.777 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.84 -26.23 63.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.576 -1.25 . . . . 0.7 109.744 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.61 -49.89 17.16 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 103.128 -2.915 . . . . 2.82 103.128 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -52.24 -31.54 32.77 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.742 -1.117 . . . . 0.77 108.704 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.82 -43.97 43.39 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.373 -2.084 . . . . 1.22 105.373 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.604 ' CD2' HH21 ' B' ' 16' ' ' ARG . 51.4 t60 -48.67 -54.44 14.74 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.761 -1.563 . . . . 1.21 109.816 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.69 -19.7 22.37 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 116.291 -2.163 . . . . 1.86 113.264 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -48.16 79.05 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.365 -2.134 . . . . 2.24 105.547 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.29 71.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.504 -1.665 . . . . 0.7 106.504 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 29.5 t70 -70.77 -28.22 64.52 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 117.334 -1.747 . . . . 1.45 110.438 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -64.82 -41.78 95.5 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 103.991 -2.596 . . . . 2.02 103.991 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.38 -24.73 67.3 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.14 -1.391 . . . . 1.52 107.446 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.445 ' CZ ' HD22 ' B' ' 53' ' ' LEU . 54.0 t80 -91.09 -92.25 0.14 Allowed 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.446 -1.302 . . . . 1.4 107.779 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -27.94 -75.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 117.002 2.223 . . . . 2.29 117.002 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -47.29 -55.66 8.29 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.455 1.121 . . . . 2.11 110.043 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.466 ' HB3' ' H ' ' B' ' 57' ' ' GLY . 96.5 m -65.42 -27.79 68.79 Favored 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 119.06 -1.056 . . . . 2.41 110.145 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' B' ' 49' ' ' TYR . 18.6 tp -61.75 -27.65 68.88 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 107.153 -1.425 . . . . 1.58 107.153 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.94 -68.74 0.16 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 126.331 2.269 . . . . 2.0 110.474 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.616 HH22 ' N ' ' B' ' 60' ' ' GLY . 13.5 ttm105 -93.4 -56.71 2.83 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.067 -1.878 . . . . 3.65 107.195 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 5' ' ' GLU . 35.2 t80 141.91 89.01 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 109.115 -3.675 . . . . 3.11 101.638 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' B' ' 52' ' ' CYS . . . 91.87 -79.73 1.24 Allowed Glycine 0 N--CA 1.486 2.006 0 C-N-CA 116.93 -2.557 . . . . 4.85 107.66 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -57.16 133.65 55.21 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.299 -1.741 . . . . 7.19 106.299 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASP . . . . . 0.449 ' C ' HH22 ' B' ' 55' ' ' ARG . 27.5 t0 -116.19 156.43 26.53 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.611 -1.996 . . . . 8.62 105.611 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLY . . . . . 0.616 ' N ' HH22 ' B' ' 55' ' ' ARG . . . -171.79 -46.47 0.04 OUTLIER Glycine 0 C--N 1.294 -1.799 1 N-CA-C 100.515 -5.034 . . . . 9.74 100.515 -178.692 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -88.74 63.89 7.08 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 100.738 -3.801 . . . . 10.96 100.738 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -58.57 139.92 55.06 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.018 -1.447 . . . . 12.6 110.272 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--N 1.301 -1.535 0 N-CA-C 101.391 -3.559 . . . . 12.96 101.391 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 1.2 pm0 . . . . . 0 C--O 1.217 -0.649 0 N-CA-C 107.966 -1.124 . . . . 2.5299999999999998 107.966 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -76.54 -27.39 55.93 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.824 -1.551 . . . . 3.7799999999999998 108.565 -179.557 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.9 m -61.82 -48.16 81.85 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 117.12 -1.832 . . . . 1.8200000000000001 108.17 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.0 99.4 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 118.049 -1.461 . . . . 0.87 108.01 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.834 -1.53 . . . . 2.3700000000000001 108.761 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -78.07 -33.05 51.01 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.097 -1.041 . . . . 2.1499999999999999 108.529 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.2 mmm -65.42 -49.6 68.6 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.706 -1.598 . . . . 2.4199999999999999 109.535 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.02 97.8 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 117.754 -1.579 . . . . 0.67000000000000004 109.097 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 31.2 ttp180 -64.52 -32.67 74.41 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.455 -1.298 . . . . 3.1499999999999999 108.765 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.37 -43.44 70.13 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 118.796 -1.161 . . . . 2.71 110.391 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.4 mt -60.72 -36.76 73.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 C-N-CA 117.406 -1.718 . . . . 0.93000000000000005 108.335 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.89 -45.18 90.88 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 116.909 -1.916 . . . . 2.6800000000000002 106.597 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -59.17 -43.31 92.11 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 118.725 -1.19 . . . . 0.71999999999999997 110.327 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -61.15 -39.52 90.4 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 117.457 -1.697 . . . . 1.8 108.327 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -65.34 -30.71 71.58 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.636 -1.226 . . . . 0.56000000000000005 109.313 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.1 -58.05 5.1 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.986 -2.227 . . . . 1.3100000000000001 104.986 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -59.38 -20.9 58.44 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.849 -1.14 . . . . 1.02 109.956 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -73.61 -44.71 56.38 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.372 -2.085 . . . . 1.71 105.372 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.7 -49.81 46.3 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.965 -1.865 . . . . 1.0800000000000001 105.965 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.4 -65.52 0.54 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.402 -1.272 . . . . 1.8400000000000001 112.175 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HZ2' ' HG2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -53.67 -35.01 60.6 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.19 -1.368 . . . . 1.8600000000000001 111.824 -177.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.48 -39.74 85.24 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.812 -1.555 . . . . 1.22 107.765 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.493 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -65.19 -28.52 69.44 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.344 -1.743 . . . . 1.7 108.704 -179.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -63.55 -40.55 97.3 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 117.775 -1.57 . . . . 2.6099999999999999 107.53 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.01 32.98 0.88 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 114.721 -1.127 . . . . 1.79 111.5 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 38.85 37.96 0.24 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 124.941 1.401 . . . . 2.4500000000000002 110.461 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.2 63.81 5.1 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.047 -1.094 . . . . 0.89000000000000001 108.047 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.4 p-10 -50.5 -44.9 56.15 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 125.654 1.846 . . . . 2.8300000000000001 107.749 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 8.2 tt0 -52.77 -68.46 0.17 Allowed 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 112.027 -2.351 . . . . 2.1499999999999999 109.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' B' ' 52' ' ' CYS . 55.7 mt-30 -58.11 -23.22 54.14 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 113.07 -1.877 . . . . 2.2599999999999998 109.693 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.22 70.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.738 -1.585 . . . . 0.65000000000000002 108.21 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.25 -54.63 43.53 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.086 -1.846 . . . . 1.6699999999999999 108.828 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -54.24 -33.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 112.335 -2.211 . . . . 1.1200000000000001 108.536 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 t -69.41 -38.19 77.81 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.337 -1.345 . . . . 0.69999999999999996 110.163 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.13 -35.33 76.27 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 117.247 -1.781 . . . . 2.8199999999999998 107.867 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -64.65 -32.68 74.45 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 117.444 -1.703 . . . . 0.77000000000000002 106.698 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.47 -32.9 64.58 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.623 -1.251 . . . . 1.22 107.623 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.75 -49.64 76.7 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.777 -1.556 . . . . 1.21 107.349 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.8 -51.02 69.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.659 -1.216 . . . . 1.8600000000000001 109.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -22.69 66.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 117.99 -1.484 . . . . 2.2400000000000002 110.981 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.22 -33.5 69.94 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 102.591 -3.114 . . . . 0.69999999999999996 102.591 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HB3' HH21 ' A' ' 50' ' ' ARG . 23.8 t0 -75.91 -33.18 59.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.28 -1.768 . . . . 1.45 106.985 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' N ' HH21 ' A' ' 50' ' ' ARG . 69.1 mm-40 -54.83 -38.53 67.53 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 117.488 -1.685 . . . . 2.02 106.743 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -48.36 66.0 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 117.064 -1.855 . . . . 1.52 107.604 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 85.7 t80 -58.01 -61.41 2.56 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.579 1.326 . . . . 1.3999999999999999 114.579 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.425 HH21 ' N ' ' A' ' 47' ' ' GLU . 6.3 ptp180 -51.35 -39.94 58.1 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.966 -0.753 . . . . 2.29 108.966 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.6 m -69.96 -31.93 69.91 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.667 -1.613 . . . . 2.1099999999999999 108.794 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 70.9 m -68.71 -22.7 64.33 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.368 -2.086 . . . . 2.4100000000000001 105.368 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.4 -23.57 27.89 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 105.454 -2.054 . . . . 1.5800000000000001 105.454 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.582 0 C-N-CA 117.237 -1.785 . . . . 2.0 107.231 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 105.801 -1.926 . . . . 2.5299999999999998 105.801 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -39.28 82.39 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.009 -1.45 . . . . 3.7799999999999998 110.944 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -69.08 -40.98 78.13 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 117.314 -1.754 . . . . 1.8200000000000001 109.112 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' HE3' ' B' ' 11' ' ' MET . . . -60.43 -50.79 72.18 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 118.989 -1.084 . . . . 0.87 109.107 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.48 -48.44 71.8 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 112.765 -2.016 . . . . 2.3700000000000001 108.335 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -62.66 -32.81 73.93 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 113.864 -1.517 . . . . 2.1499999999999999 112.853 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . 0.405 ' HE3' ' HA ' ' B' ' 8' ' ' ALA . 77.5 mtm -72.1 -34.15 68.4 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 116.23 -2.188 . . . . 2.4199999999999999 108.496 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.46 48.59 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 117.426 -1.71 . . . . 0.67000000000000004 106.954 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -57.92 -30.99 66.38 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.877 -1.965 . . . . 3.1499999999999999 108.022 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.65 -53.01 38.57 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 118.105 -1.438 . . . . 2.71 109.951 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.77 -32.38 46.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 118.441 -1.303 . . . . 0.93000000000000005 109.699 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.588 HH21 ' CD2' ' B' ' 42' ' ' HIS . 57.1 ttt85 -60.96 -59.31 5.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 116.285 -2.166 . . . . 2.6800000000000002 108.854 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.4 m -59.17 -40.97 87.31 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.147 -0.933 . . . . 0.71999999999999997 111.948 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -55.29 -57.79 10.38 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.93 -1.137 . . . . 1.8 107.93 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -58.7 -28.27 65.63 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.067 -1.424 . . . . 0.56000000000000005 110.376 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.46 -55.34 28.57 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.021 -2.214 . . . . 1.3100000000000001 105.021 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.8 m -57.6 -25.19 59.7 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.18 -1.373 . . . . 1.02 110.192 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' B' ' 26' ' ' LEU . 87.8 mt -80.9 -30.23 35.46 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 116.366 -2.134 . . . . 1.71 108.763 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.424 HD23 ' C ' ' B' ' 23' ' ' LEU . 7.9 tt -62.11 -57.38 11.79 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.344 -1.743 . . . . 1.0800000000000001 107.235 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.16 -61.1 2.89 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 117.828 -1.549 . . . . 1.8400000000000001 112.51 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' B' ' 24' ' ' GLU . 13.0 mmtm -56.02 -37.03 68.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.853 -1.139 . . . . 1.8600000000000001 114.069 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 22' ' ' LEU . 9.9 mp -73.03 -29.83 63.3 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 116.011 -2.276 . . . . 1.22 107.676 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.32 -46.07 90.37 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.787 -1.931 . . . . 1.7 105.787 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.419 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 45.5 mt-10 -66.22 -27.78 68.24 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 113.197 -1.819 . . . . 2.6099999999999999 110.026 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 25.5 tp -89.91 20.02 4.46 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.293 -1.373 . . . . 1.79 107.293 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 18.9 t0 51.64 74.57 0.25 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.683 -1.228 . . . . 2.4500000000000002 107.683 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.28 51.66 0.25 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 101.934 -3.358 . . . . 0.89000000000000001 101.934 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.25 -35.14 74.81 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 112.821 -1.991 . . . . 2.8300000000000001 110.87 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.9 mp0 -58.02 -45.26 87.19 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.47 -1.678 . . . . 2.1499999999999999 106.47 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.425 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mp0 -65.22 -32.65 74.43 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.463 -2.095 . . . . 2.2599999999999998 108.21 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.44 96.42 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.447 -1.301 . . . . 0.65000000000000002 109.265 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -57.2 -57.82 10.94 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.544 1.164 . . . . 1.6699999999999999 109.131 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.16 -30.28 45.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 113.26 -1.791 . . . . 1.1200000000000001 109.275 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 87.8 m -67.37 -28.45 67.95 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.665 -1.614 . . . . 0.69999999999999996 108.191 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 24.2 tt0 -72.01 -40.9 68.15 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.901 -1.52 . . . . 2.8199999999999998 108.014 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -36.15 77.0 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 116.446 -2.102 . . . . 0.77000000000000002 108.879 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.71 -33.43 72.49 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.957 -1.474 . . . . 1.22 108.039 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.588 ' CD2' HH21 ' B' ' 16' ' ' ARG . 72.4 t60 -53.23 -59.0 5.13 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.102 -1.863 . . . . 1.21 109.355 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.407 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 28.7 t70 -80.7 -23.42 39.54 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 116.128 -2.229 . . . . 1.8600000000000001 112.083 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.77 -30.94 71.28 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 116.237 -2.185 . . . . 2.2400000000000002 105.849 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.51 81.22 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 104.962 -2.236 . . . . 0.69999999999999996 104.962 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 37.2 t70 -65.41 -23.22 66.9 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.176 -1.829 . . . . 1.45 108.706 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -58.3 -34.0 70.08 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 117.364 -1.734 . . . . 2.02 108.301 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.492 ' N ' HD22 ' B' ' 48' ' ' LEU . 3.6 mm? -69.85 -36.12 75.29 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.052 -1.859 . . . . 1.52 107.347 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -51.63 66.92 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 106.63 -1.619 . . . . 1.3999999999999999 106.63 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -53.79 -57.32 11.33 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.293 -0.563 . . . . 2.29 110.494 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -59.28 -31.72 69.37 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.434 -0.907 . . . . 2.1099999999999999 111.04 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.407 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 96.5 m -74.74 -28.9 60.96 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.711 -1.596 . . . . 2.4100000000000001 108.108 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 tp -75.6 -23.19 56.43 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 105.371 -2.085 . . . . 1.5800000000000001 105.371 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.84 -62.82 1.57 Allowed 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.705 -1.598 . . . . 2.0 109.713 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 34' ' ' GLN . 7.6 tpp85 -58.42 -42.19 86.7 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.587 -1.188 . . . . 3.6499999999999999 111.39 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.302 -1.467 0 C-N-CA 118.493 -1.283 . . . . 3.1099999999999999 113.073 -177.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 106.8 -1.556 . . . . 2.5299999999999998 106.8 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -69.7 -20.54 63.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.987 -1.085 . . . . 3.7799999999999998 109.98 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.7 m -72.57 -46.86 52.29 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 104.268 -2.493 . . . . 1.8200000000000001 104.268 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.07 79.17 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.308 -0.957 . . . . 0.87 109.091 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -58.13 -51.1 71.13 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.111 -1.811 . . . . 2.3700000000000001 106.111 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -61.16 -35.49 77.24 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 113.683 -1.599 . . . . 2.1499999999999999 111.552 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 33.8 mtm -63.77 -42.02 97.86 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 117.316 -1.754 . . . . 2.4199999999999999 109.261 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.41 88.46 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.282 -1.367 . . . . 0.67000000000000004 108.879 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.619 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -63.95 -38.99 93.11 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.314 -1.755 . . . . 3.1499999999999999 108.901 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.59 -32.74 74.3 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.901 -1.919 . . . . 2.71 109.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -61.38 -43.62 97.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.492 -2.04 . . . . 0.93000000000000005 105.492 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 19.6 ttt180 -60.54 -40.83 92.95 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 117.673 -1.611 . . . . 2.6800000000000002 109.352 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 m -59.28 -48.95 79.72 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.083 -1.047 . . . . 0.71999999999999997 110.438 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.96 -44.43 94.43 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.954 -1.098 . . . . 1.8 108.742 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -58.26 -29.48 65.83 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.449 -1.301 . . . . 0.56000000000000005 109.804 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -46.56 82.9 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.043 -2.206 . . . . 1.3100000000000001 105.043 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -59.15 -37.1 76.49 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.142 -1.423 . . . . 1.02 108.703 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.88 -28.31 65.54 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.292 -1.763 . . . . 1.71 109.092 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.17 -48.28 82.21 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.688 -2.338 . . . . 1.0800000000000001 104.688 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -65.1 0.74 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 112.994 -1.912 . . . . 1.8400000000000001 111.111 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' N ' ' HZ2' ' A' ' 25' ' ' LYS . 7.0 mmtm -48.5 -48.8 37.86 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.093 -0.958 . . . . 1.8600000000000001 112.978 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -60.11 -37.95 81.54 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 117.311 -1.755 . . . . 1.22 107.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -62.02 -40.87 97.19 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.025 -1.07 . . . . 1.7 109.4 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 30' ' ' ASP . 94.4 mt-10 -61.52 -36.55 80.85 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.859 0.838 . . . . 2.6099999999999999 108.9 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' ALA . 21.5 mt -87.91 31.46 0.78 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.87 -1.514 . . . . 1.79 107.627 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 28' ' ' GLU . 4.0 p-10 41.56 14.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 126.514 2.384 . . . . 2.4500000000000002 112.129 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' LEU . . . -88.54 56.23 3.7 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 104.284 -2.487 . . . . 0.89000000000000001 104.284 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.83 -31.83 71.94 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.752 -1.179 . . . . 2.8300000000000001 110.386 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 115.5 -2.48 . . . . 2.1499999999999999 105.78 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.455 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 98.8 mm-40 -72.95 -29.01 62.76 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 116.552 -2.059 . . . . 2.2599999999999998 105.638 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.5 71.42 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.108 -1.812 . . . . 0.65000000000000002 106.108 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.82 -50.63 71.52 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.884 -1.526 . . . . 1.6699999999999999 107.41 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.88 -33.23 45.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 113.82 -1.536 . . . . 1.1200000000000001 107.03 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.9 t -73.23 -27.16 61.45 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.457 -1.297 . . . . 0.69999999999999996 110.598 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -76.02 -40.67 53.03 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.589 -2.375 . . . . 2.8199999999999998 104.589 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.8 m -59.28 -32.72 70.28 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.571 -2.011 . . . . 0.77000000000000002 105.571 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -73.82 -35.34 64.85 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.922 -1.51 . . . . 1.22 106.922 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 36.8 t60 -57.44 -58.87 6.39 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.009 -1.45 . . . . 1.21 110.145 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.41 -25.16 39.17 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 116.412 -2.115 . . . . 1.8600000000000001 112.18 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.86 -35.28 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.754 -2.313 . . . . 2.2400000000000002 104.754 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.1 80.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.347 -2.094 . . . . 0.69999999999999996 105.347 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 7.0 t70 -69.41 -22.06 63.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.02 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CD ' ' NH2' ' A' ' 50' ' ' ARG . 18.4 mm-40 -63.62 -42.43 98.18 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 105.05 -2.204 . . . . 2.02 105.05 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.84 -40.97 90.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 105.745 -1.946 . . . . 1.52 105.745 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.619 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 30.4 t80 -61.08 -40.18 92.71 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.468 -0.893 . . . . 1.3999999999999999 110.993 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' NH2' ' CD ' ' A' ' 47' ' ' GLU . 43.4 mtm-85 -68.08 -61.32 1.91 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.706 -0.797 . . . . 2.29 110.135 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 m -54.28 -33.44 58.65 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 114.621 -1.172 . . . . 2.1099999999999999 109.753 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.1 m -66.29 -49.52 66.8 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 117.202 -1.799 . . . . 2.4100000000000001 107.911 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.11 -40.88 33.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 118.905 -1.118 . . . . 1.5800000000000001 110.401 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 C-N-CA 118.824 -1.15 . . . . 2.0 110.687 -179.548 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.035 0.445 . . . . 2.5299999999999998 110.923 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -74.42 -21.46 59.61 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.384 -1.726 . . . . 3.7799999999999998 107.497 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 m -66.53 -61.97 1.71 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 117.473 -1.691 . . . . 1.8200000000000001 106.892 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.89 -39.25 53.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.495 -0.775 . . . . 0.87 109.791 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' CE1' ' B' ' 49' ' ' TYR . 33.3 tp -57.84 -57.35 13.17 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.666 -1.214 . . . . 2.3700000000000001 108.811 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -61.77 -25.91 67.76 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.594 -1.243 . . . . 2.1499999999999999 110.666 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 89.3 mmm -71.11 -38.04 72.36 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.745 -1.582 . . . . 2.4199999999999999 108.942 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.7 87.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.586 -1.635 . . . . 0.67000000000000004 106.586 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -58.31 -41.42 84.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.584 -1.644 . . . . 3.1499999999999999 109.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -61.05 -48.68 80.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.236 -1.386 . . . . 2.71 110.163 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.9 mt -56.38 -37.69 52.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.926 -1.034 . . . . 0.93000000000000005 108.996 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' B' ' 46' ' ' ASP . 34.5 ttt180 -58.38 -51.07 71.38 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 116.861 -1.935 . . . . 2.6800000000000002 107.924 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -51.16 -44.12 61.4 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.989 -1.005 . . . . 0.71999999999999997 110.565 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.28 -50.09 74.84 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.284 -1.367 . . . . 1.8 109.208 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -54.49 -31.08 55.24 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 113.925 -1.488 . . . . 0.56000000000000005 110.182 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.37 -54.79 27.31 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.731 -1.952 . . . . 1.3100000000000001 105.731 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -50.1 -37.18 32.69 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.564 -1.653 . . . . 1.02 110.454 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.72 -41.28 60.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 116.817 -1.953 . . . . 1.71 109.892 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.44 -50.92 58.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.622 -1.621 . . . . 1.0800000000000001 106.622 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.48 -59.42 4.61 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.033 -1.894 . . . . 1.8400000000000001 107.719 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HE2' ' N ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.81 -18.82 46.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.654 -1.219 . . . . 1.8600000000000001 112.552 -178.536 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 mt -78.4 -34.43 48.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.949 -1.871 . . . . 1.22 105.949 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -64.1 -41.06 97.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.056 -1.831 . . . . 1.7 106.056 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.442 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 93.0 mt-10 -63.2 -44.21 95.99 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.481 -1.236 . . . . 2.6099999999999999 109.91 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' ALA . 87.6 mt -89.97 42.44 1.09 Allowed 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.518 -0.873 . . . . 1.79 109.378 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 34.63 16.62 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 127.454 2.971 . . . . 2.4500000000000002 115.59 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.62 58.11 3.43 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 104.936 -2.246 . . . . 0.89000000000000001 104.936 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.96 -35.79 81.83 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 118.534 -1.266 . . . . 2.8300000000000001 110.701 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 0.5 OUTLIER -62.49 -33.91 75.8 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 116.214 -2.194 . . . . 2.1499999999999999 106.765 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -76.17 -23.4 54.74 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 116.698 -2.001 . . . . 2.2599999999999998 107.466 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.71 87.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 105.704 -1.961 . . . . 0.65000000000000002 105.704 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.85 -56.47 20.85 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.601 1.191 . . . . 1.6699999999999999 108.448 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.3 -30.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.995 -1.911 . . . . 1.1200000000000001 108.139 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.05 -36.69 69.67 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.195 -1.402 . . . . 0.69999999999999996 109.282 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 19.8 tp10 -65.58 -44.46 86.59 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 117.911 -1.516 . . . . 2.8199999999999998 107.511 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' B' ' 44' ' ' HIS . 16.6 m -51.54 -48.33 63.09 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 117.2 -1.8 . . . . 0.77000000000000002 107.66 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.12 -37.29 84.56 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.511 -1.276 . . . . 1.22 109.121 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.52 ' CE1' ' HG2' ' B' ' 16' ' ' ARG . 46.4 t60 -55.78 -59.28 5.09 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.101 -1.409 . . . . 1.21 108.437 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' B' ' 16' ' ' ARG . 20.4 t70 -72.03 -27.36 62.66 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 116.957 -1.897 . . . . 1.8600000000000001 112.271 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' B' ' 40' ' ' SER . 2.9 m-70 -61.62 -33.69 74.36 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.754 -1.978 . . . . 2.2400000000000002 107.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.51 79.32 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.482 -1.687 . . . . 0.69999999999999996 106.907 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.546 ' HB2' ' HD2' ' B' ' 16' ' ' ARG . 50.0 t0 -68.44 -29.34 67.97 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 114.553 -1.203 . . . . 1.45 107.929 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.28 -39.0 88.8 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 117.425 -1.71 . . . . 2.02 106.658 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.38 -39.05 91.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 116.856 -1.938 . . . . 1.52 105.987 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.45 ' CE1' ' HG ' ' B' ' 9' ' ' LEU . 27.3 t80 -61.05 -27.23 68.19 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.162 -1.415 . . . . 1.3999999999999999 108.992 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.414 HH11 ' CG ' ' B' ' 46' ' ' ASP . 20.6 mtm180 -91.16 -75.61 0.47 Allowed 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.488 -0.885 . . . . 2.29 110.233 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -50.07 -39.07 41.11 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.759 -0.776 . . . . 2.1099999999999999 112.994 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 34' ' ' GLN . 51.2 m -71.54 -32.21 67.89 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 115.689 -2.404 . . . . 2.4100000000000001 108.573 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -59.68 -34.91 73.48 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 117.13 -1.828 . . . . 1.5800000000000001 106.166 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.19 83.64 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.119 -1.832 . . . . 2.0 107.959 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -69.77 -9.42 54.5 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.137 -1.025 . . . . 3.6499999999999999 110.406 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 . . . . . 0 C--N 1.298 -1.666 0 C-N-CA 117.741 -1.584 . . . . 3.1099999999999999 112.033 -179.166 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.617 0.246 . . . . 2.5299999999999998 110.587 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -57.86 -43.34 85.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.371 -1.344 . . . . 3.7799999999999998 107.371 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -66.79 -41.01 88.31 Favored 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 117.827 -1.549 . . . . 1.8200000000000001 110.195 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.9 -31.87 73.31 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.708 -1.197 . . . . 0.87 108.444 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.544 ' HG ' ' CE2' ' A' ' 49' ' ' TYR . 30.2 tp -66.08 -39.85 90.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.959 -2.237 . . . . 2.3700000000000001 104.959 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -67.64 -35.3 78.65 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 118.327 -1.349 . . . . 2.1499999999999999 108.326 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.9 mmm -64.55 -39.06 93.06 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.053 -1.459 . . . . 2.4199999999999999 109.138 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.26 90.5 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.902 -1.519 . . . . 0.67000000000000004 107.669 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 18.2 tpp85 -65.65 -25.27 67.28 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 114.156 -1.384 . . . . 3.1499999999999999 107.608 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.8 -38.24 76.56 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.248 -1.781 . . . . 2.71 107.189 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.0 mm -61.92 -41.61 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 117.814 -1.554 . . . . 0.93000000000000005 106.852 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 28.3 ttm-85 -55.08 -50.7 68.5 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.2 -1.4 . . . . 2.6800000000000002 107.98 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -65.91 -27.82 68.47 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.311 -1.313 . . . . 0.71999999999999997 112.972 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.44 -49.44 59.9 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 102.787 -3.042 . . . . 1.8 102.787 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.416 HG22 ' SG ' ' A' ' 38' ' ' CYS . 31.4 m -56.06 -26.12 47.91 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 113.663 -1.608 . . . . 0.56000000000000005 109.636 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -73.7 -47.54 38.77 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 117.084 -1.846 . . . . 1.3100000000000001 107.198 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -56.07 -38.52 70.76 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.903 -1.147 . . . . 1.02 107.903 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -66.05 -48.26 71.63 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 118.306 -1.358 . . . . 1.71 107.623 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -44.71 -49.94 10.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 124.851 1.345 . . . . 1.0800000000000001 108.505 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.89 -59.67 4.32 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 113.63 -1.623 . . . . 1.8400000000000001 107.88 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 4.7 mmtm -57.44 -26.1 60.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.583 -1.189 . . . . 1.8600000000000001 111.936 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.83 -33.65 64.24 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 117.357 -1.737 . . . . 1.22 107.691 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.1 m-80 -67.6 -43.11 81.27 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 117.318 -1.753 . . . . 1.7 107.839 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' CD ' ' HZ2' ' A' ' 25' ' ' LYS . 82.3 mt-10 -61.19 -44.7 96.87 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.567 -1.197 . . . . 2.6099999999999999 112.337 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.97 29.31 1.22 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.422 -1.311 . . . . 1.79 114.258 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 48.03 70.33 0.45 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.984 1.428 . . . . 2.4500000000000002 108.419 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.34 52.94 1.34 Allowed 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 104.544 -2.391 . . . . 0.89000000000000001 104.544 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -61.89 -51.04 69.79 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.107 -1.861 . . . . 2.8300000000000001 111.786 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.68 -43.82 65.82 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 123.761 1.743 . . . . 2.1499999999999999 108.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 21.2 mp0 -62.11 -33.65 74.86 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 112.103 -2.317 . . . . 2.2599999999999998 108.038 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.72 72.24 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.486 -1.286 . . . . 0.65000000000000002 108.638 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.69 -49.18 62.92 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 118.743 -1.183 . . . . 1.6699999999999999 110.662 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.03 -35.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 C-N-CA 117.891 -1.524 . . . . 1.1200000000000001 107.598 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 19' ' ' THR . 34.8 t -65.18 -27.73 68.9 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.555 -1.258 . . . . 0.69999999999999996 109.538 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' HIS . 7.9 mm-40 -71.75 -40.12 69.57 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.473 -1.677 . . . . 2.8199999999999998 106.473 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -60.11 -34.18 73.15 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 117.798 -1.561 . . . . 0.77000000000000002 107.434 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -74.72 -36.1 62.68 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.836 -1.145 . . . . 1.22 108.06 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 83.7 t60 -53.31 -49.69 66.49 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.341 -1.754 . . . . 1.21 109.844 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 18.6 t70 -87.33 -28.11 22.44 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 117.011 -1.876 . . . . 1.8600000000000001 112.271 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -70.65 -17.92 62.86 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 116.71 -1.996 . . . . 2.2400000000000002 106.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.35 62.86 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 104.728 -2.323 . . . . 0.69999999999999996 104.728 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 7.9 t70 -75.58 -6.57 50.98 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 112.993 -1.912 . . . . 1.45 108.952 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CD ' HH11 ' A' ' 50' ' ' ARG . 5.9 tp10 -65.41 -39.93 92.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 101.793 -3.41 . . . . 2.02 101.793 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 84.9 mt -72.17 5.32 2.86 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 114.521 -1.218 . . . . 1.52 110.247 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE2' ' HG ' ' A' ' 9' ' ' LEU . 43.5 t80 -104.29 -58.71 1.84 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 105.026 -2.213 . . . . 1.3999999999999999 105.026 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.409 HH11 ' CD ' ' A' ' 47' ' ' GLU . 8.9 ptp180 -65.03 -53.24 48.99 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 2.29 111.175 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -60.18 -39.41 86.39 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.769 -1.172 . . . . 2.1099999999999999 110.15 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.527 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 87.1 m -69.41 -33.58 73.2 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 116.339 -2.144 . . . . 2.4100000000000001 108.868 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.55 -27.27 69.05 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.684 -1.599 . . . . 1.5800000000000001 106.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.611 0 C-N-CA 116.741 -1.983 . . . . 2.0 109.287 179.692 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 109.678 -0.49 . . . . 2.5299999999999998 109.678 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -38.08 80.28 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.17 -1.412 . . . . 3.7799999999999998 108.049 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -67.03 -54.73 18.85 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 117.407 -1.717 . . . . 1.8200000000000001 109.421 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.09 72.09 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.565 -0.854 . . . . 0.87 111.612 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' B' ' 49' ' ' TYR . 56.9 tp -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 105.974 -1.862 . . . . 2.3700000000000001 105.974 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -67.17 -25.74 66.3 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 112.863 -1.971 . . . . 2.1499999999999999 110.857 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.6 mmm -71.99 -38.48 69.67 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 117.854 -1.538 . . . . 2.4199999999999999 109.378 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.5 90.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 105.882 -1.895 . . . . 0.67000000000000004 105.882 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.447 HH22 ' HA ' ' B' ' 14' ' ' PHE . 9.3 ttp85 -64.72 -25.89 68.13 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.712 -1.586 . . . . 3.1499999999999999 106.849 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.447 ' HA ' HH22 ' B' ' 13' ' ' ARG . 56.7 t80 -72.54 -33.64 67.0 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.342 -1.743 . . . . 2.71 107.764 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.73 -39.55 85.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 103.94 -2.615 . . . . 0.93000000000000005 103.94 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.499 HH21 ' CG ' ' B' ' 42' ' ' HIS . 56.9 mtp85 -61.85 -36.22 80.59 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 115.869 -2.332 . . . . 2.6800000000000002 108.201 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -65.86 -35.52 80.89 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.026 -1.469 . . . . 0.71999999999999997 109.393 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.0 -59.6 2.82 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.834 -1.147 . . . . 1.8 108.214 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -47.7 -35.07 9.06 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.184 -1.371 . . . . 0.56000000000000005 111.223 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.14 -53.65 55.24 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.275 -1.75 . . . . 1.3100000000000001 106.275 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -60.58 -17.31 45.7 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 112.874 -1.966 . . . . 1.02 111.166 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.75 -33.61 16.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.3 -1.36 . . . . 1.71 109.496 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.17 -45.11 91.87 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 105.653 -1.98 . . . . 1.0800000000000001 105.653 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 7.0 tt0 -43.53 -68.55 0.19 Allowed 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 111.449 -2.614 . . . . 1.8400000000000001 109.047 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 59.1 mttp -63.08 -57.58 10.16 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 112.497 -2.138 . . . . 1.8600000000000001 114.866 -177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.18 -38.36 11.74 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.53 -0.868 . . . . 1.22 111.023 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.06 -55.86 29.55 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.585 -1.246 . . . . 1.7 109.58 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.96 -22.89 67.12 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.575 -1.25 . . . . 2.6099999999999999 110.447 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -86.92 29.47 0.81 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.791 -1.164 . . . . 1.79 109.572 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t70 37.47 49.36 0.97 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 125.775 1.922 . . . . 2.4500000000000002 108.866 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.32 52.04 1.25 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 100.471 -3.9 . . . . 0.89000000000000001 100.471 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.89 -34.97 78.51 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.212 -1.813 . . . . 2.8300000000000001 110.564 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -51.89 67.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.317 -2.475 . . . . 2.1499999999999999 104.317 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.527 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 26.3 mp0 -66.35 -16.28 63.94 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.764 -1.562 . . . . 2.2599999999999998 110.239 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.54 -44.86 70.07 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.572 -2.01 . . . . 0.65000000000000002 105.572 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.98 -56.17 25.15 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.011 -1.477 . . . . 1.6699999999999999 107.011 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -52.3 -31.77 15.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.654 -2.066 . . . . 1.1200000000000001 109.228 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 38.2 t -67.79 -44.49 77.24 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 118.293 -1.363 . . . . 0.69999999999999996 108.493 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 46.3 mt-10 -70.8 -31.57 68.37 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 117.875 -1.53 . . . . 2.8199999999999998 109.386 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.2 m -68.14 -33.4 74.42 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 117.751 -1.58 . . . . 0.77000000000000002 107.756 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.47 -40.1 67.23 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.616 -1.994 . . . . 1.22 105.616 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.499 ' CG ' HH21 ' B' ' 16' ' ' ARG . 8.9 t60 -48.51 -59.48 3.46 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 112.583 -2.099 . . . . 1.21 110.12 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.482 ' CG ' HH22 ' B' ' 16' ' ' ARG . 3.4 m-20 -79.83 -17.49 53.15 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 116.666 -2.014 . . . . 1.8600000000000001 112.385 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.55 -30.74 71.77 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.288 -2.486 . . . . 2.2400000000000002 104.288 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.11 -28.44 64.32 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.442 -1.303 . . . . 0.69999999999999996 108.403 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' HB2' ' NH1' ' B' ' 16' ' ' ARG . 19.5 t70 -64.13 -33.76 76.5 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.372 -1.286 . . . . 1.45 109.076 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -54.19 -46.44 72.39 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 118.815 -1.154 . . . . 2.02 108.669 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.431 HD12 ' N ' ' B' ' 48' ' ' LEU . 6.9 mp -57.23 -44.58 83.92 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.172 -1.411 . . . . 1.52 108.177 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' B' ' 13' ' ' ARG . 24.8 t80 -56.65 -49.87 73.75 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 124.871 1.357 . . . . 1.3999999999999999 110.908 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' B' ' 50' ' ' ARG . 8.1 mmp_? -58.81 -51.27 70.72 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.574 -1.25 . . . . 2.29 108.142 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -59.34 -26.68 65.25 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.178 -1.374 . . . . 2.1099999999999999 110.173 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 92.2 m -76.52 -27.66 56.08 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 117.85 -1.54 . . . . 2.4100000000000001 107.553 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.4 -36.44 81.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 105.314 -2.106 . . . . 1.5800000000000001 105.314 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.42 5.81 0.71 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.711 -1.196 . . . . 2.0 113.282 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 55' ' ' ARG . 13.0 mmt180 -129.02 -55.39 1.2 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.701 -1.592 . . . . 3.6499999999999999 106.701 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 . . . . . 0 C--N 1.296 -1.73 0 CA-C-N 112.759 -2.019 . . . . 3.1099999999999999 110.614 -179.316 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 123.279 1.514 . . . . 2.5299999999999998 106.99 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.542 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 20.2 mmtp -69.53 -31.83 70.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.769 -2.014 . . . . 3.7799999999999998 108.918 -177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -73.59 -24.51 60.07 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 116.58 -2.048 . . . . 1.8200000000000001 105.913 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -57.5 4.74 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.604 -1.238 . . . . 0.87 112.348 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.588 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 2.6 pt? -68.48 -27.94 66.59 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.111 -2.636 . . . . 2.3700000000000001 108.658 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -66.76 -36.96 83.65 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 115.831 -2.348 . . . . 2.1499999999999999 106.823 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.401 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 43.0 tpp -63.3 -45.51 91.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.999 -1.482 . . . . 2.4199999999999999 106.999 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.08 69.3 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.123 -1.031 . . . . 0.67000000000000004 109.383 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -66.05 -39.7 90.33 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.289 -2.115 . . . . 3.1499999999999999 105.289 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 9.4 m-85 -72.32 -24.5 61.32 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.425 -1.31 . . . . 2.71 109.835 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.96 -37.07 79.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 103.991 -2.596 . . . . 0.93000000000000005 103.991 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 47.9 ttp180 -64.57 -37.74 88.62 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.333 -1.747 . . . . 2.6800000000000002 106.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -60.45 -38.6 84.68 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.95 -1.5 . . . . 0.71999999999999997 108.042 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.98 -40.08 92.08 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 117.546 -1.662 . . . . 1.8 107.018 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 m -59.84 -30.7 69.13 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.879 -1.128 . . . . 0.56000000000000005 108.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.69 -58.58 5.9 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 104.032 -2.581 . . . . 1.3100000000000001 104.032 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -53.49 -19.61 3.86 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.802 -1.09 . . . . 1.02 110.795 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.81 -36.25 23.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.45 -1.3 . . . . 1.71 109.846 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' CD1' HD21 ' A' ' 27' ' ' ASN . 20.0 tp -50.49 -59.66 3.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 124.406 1.066 . . . . 1.0800000000000001 111.037 -179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 3.8 mp0 -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 125.006 1.441 . . . . 1.8400000000000001 108.747 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HE3' ' SD ' ' B' ' 11' ' ' MET . 62.2 mttm -51.21 -47.48 62.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.361 -1.29 . . . . 1.8600000000000001 111.403 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.54 -33.85 68.53 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.552 -1.259 . . . . 1.22 110.966 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.411 HD21 ' CD1' ' A' ' 23' ' ' LEU . 67.9 m-80 -69.76 -53.55 17.85 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 117.613 -1.635 . . . . 1.7 110.171 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.53 -26.46 68.72 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.526 -1.27 . . . . 2.6099999999999999 110.782 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -89.97 14.14 12.96 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.346 -0.942 . . . . 1.79 110.434 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' HH21 ' B' ' 55' ' ' ARG . 19.3 t0 48.75 71.66 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 123.222 1.487 . . . . 2.4500000000000002 109.288 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.98 55.05 1.72 Allowed 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 103.668 -2.715 . . . . 0.89000000000000001 103.668 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.57 -39.47 64.83 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.621 -1.627 . . . . 2.8300000000000001 109.408 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 34' ' ' GLN . 8.9 pt-20 -60.33 -41.47 93.62 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.903 -1.519 . . . . 2.1499999999999999 108.28 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.555 ' HG3' ' SG ' ' B' ' 52' ' ' CYS . 91.1 mm-40 -74.74 -14.44 60.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.794 -1.562 . . . . 2.2599999999999998 108.691 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -56.92 6.94 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 104.217 -2.512 . . . . 0.65000000000000002 104.217 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -50.61 -55.55 15.83 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 117.653 -1.619 . . . . 1.6699999999999999 110.242 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.3 mm -55.42 -31.53 27.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 112.93 -1.941 . . . . 1.1200000000000001 109.193 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.2 t -71.23 -43.33 67.52 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.27 -1.372 . . . . 0.69999999999999996 110.025 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.5 76.02 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 117.99 -1.484 . . . . 2.8199999999999998 107.945 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -59.96 -31.85 70.26 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.619 -1.173 . . . . 0.77000000000000002 109.773 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -74.45 -35.43 63.33 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.717 -1.216 . . . . 1.22 107.717 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 19.9 t60 -57.42 -59.82 4.58 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 112.425 -2.17 . . . . 1.21 108.726 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.43 -40.57 96.0 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 117.404 -1.719 . . . . 1.8600000000000001 110.698 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -61.21 -28.58 69.25 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.101 -1.84 . . . . 2.2400000000000002 109.392 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.67 65.69 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.378 -2.453 . . . . 0.69999999999999996 104.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -73.03 -16.2 61.5 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 117.659 -1.616 . . . . 1.45 106.686 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.81 -36.8 56.66 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 104.488 -2.412 . . . . 2.02 104.488 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.94 -31.83 73.25 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 104.458 -2.423 . . . . 1.52 104.458 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 83.4 t80 -69.66 -43.24 72.99 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.219 -0.992 . . . . 1.3999999999999999 109.844 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -64.13 -63.52 1.13 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.5 -0.926 . . . . 2.29 108.5 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.1 m -50.0 -43.36 50.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.553 -1.203 . . . . 2.1099999999999999 111.887 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 9' ' ' LEU . 28.6 p -72.9 -29.94 63.54 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 116.184 -2.207 . . . . 2.4100000000000001 108.962 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.8 -25.48 66.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.009 -1.848 . . . . 1.5800000000000001 106.009 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 C-N-CA 116.866 -1.934 . . . . 2.0 106.75 179.592 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 105.474 -2.047 . . . . 2.5299999999999998 105.474 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.511 ' CE ' ' HA ' ' B' ' 6' ' ' LYS . 0.4 OUTLIER -69.82 -28.25 65.55 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 118.422 -1.311 . . . . 3.7799999999999998 109.109 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -68.57 -48.46 64.17 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 117.341 -1.743 . . . . 1.8200000000000001 107.137 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.99 79.29 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.427 -1.309 . . . . 0.87 109.38 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.12 -49.19 72.38 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 113.902 -1.499 . . . . 2.3700000000000001 111.971 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -69.01 -34.94 76.07 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.197 -1.401 . . . . 2.1499999999999999 111.71 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . 0.406 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 93.8 mtp -70.11 -36.6 74.97 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 117.958 -1.497 . . . . 2.4199999999999999 109.15 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.91 73.03 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.849 -1.908 . . . . 0.67000000000000004 105.849 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -70.96 -25.16 62.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 105.746 -1.946 . . . . 3.1499999999999999 105.746 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -32.73 59.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.719 -1.586 . . . . 2.71 106.719 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -59.22 -48.04 88.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 103.525 -2.769 . . . . 0.93000000000000005 103.525 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.508 ' HD2' ' HA ' ' B' ' 46' ' ' ASP . 33.7 mtp-105 -55.88 -36.41 67.59 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 118.002 -1.479 . . . . 2.6800000000000002 110.578 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -64.44 -56.68 12.65 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 117.606 -1.638 . . . . 0.71999999999999997 109.235 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -54.79 -60.45 3.34 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.688 0.756 . . . . 1.8 109.951 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.402 HG22 ' SG ' ' B' ' 38' ' ' CYS . 30.5 m -51.85 -31.22 26.91 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.183 -1.826 . . . . 0.56000000000000005 110.946 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.18 -49.17 53.07 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 116.98 -1.888 . . . . 1.3100000000000001 108.431 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -70.63 -19.95 62.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 117.538 -1.665 . . . . 1.02 108.207 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 tp -72.76 -43.65 62.58 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.687 -1.968 . . . . 1.71 105.687 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.59 -51.97 61.31 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.558 -1.645 . . . . 1.0800000000000001 106.558 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -48.01 -59.77 3.11 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.593 -1.64 . . . . 1.8400000000000001 108.523 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -59.33 -28.75 67.1 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.666 -1.152 . . . . 1.8600000000000001 111.574 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 74.4 mt -67.28 -42.82 83.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 116.794 -1.963 . . . . 1.22 106.325 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -57.44 -42.42 82.41 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.416 -1.313 . . . . 1.7 109.656 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -62.87 -34.43 77.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.323 -1.351 . . . . 2.6099999999999999 110.105 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.96 28.23 1.42 Allowed 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.399 -0.921 . . . . 1.79 109.878 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 50.88 17.6 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.126 0.891 . . . . 2.4500000000000002 111.034 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.59 50.46 1.91 Allowed 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.768 -0.773 . . . . 0.89000000000000001 109.571 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -62.96 -32.51 73.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 124.296 0.998 . . . . 2.8300000000000001 110.707 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.405 ' CD ' HE22 ' B' ' 34' ' ' GLN . 1.5 mp0 -57.79 -50.4 73.37 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.887 -2.264 . . . . 2.1499999999999999 104.887 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.405 HE22 ' CD ' ' B' ' 33' ' ' GLU . 3.4 mp0 -64.91 -23.15 67.14 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.914 -1.494 . . . . 2.2599999999999998 109.107 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.67 70.75 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.414 -1.714 . . . . 0.65000000000000002 108.268 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -60.21 -49.6 76.98 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.311 -1.737 . . . . 1.6699999999999999 106.311 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.31 -34.4 50.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 112.124 -2.307 . . . . 1.1200000000000001 107.739 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' B' ' 19' ' ' THR . 34.9 t -72.86 -29.56 63.3 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 118.666 -1.214 . . . . 0.69999999999999996 109.799 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.72 -52.7 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.817 -1.549 . . . . 2.8199999999999998 106.817 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.5 m -59.56 -34.49 72.75 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.294 -1.321 . . . . 0.77000000000000002 109.124 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.42 -39.07 81.74 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.192 -1.403 . . . . 1.22 108.808 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.91 -54.56 40.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.029 -1.441 . . . . 1.21 109.647 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.89 -47.11 81.27 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.294 1.045 . . . . 1.8600000000000001 109.973 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.55 -32.18 73.09 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 113.523 -1.671 . . . . 2.2400000000000002 108.565 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.17 -21.28 46.65 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.525 -1.287 . . . . 0.69999999999999996 107.525 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.508 ' HA ' ' HD2' ' B' ' 16' ' ' ARG . 33.7 t0 -78.23 -8.9 58.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.405 -1.331 . . . . 1.45 107.405 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' B' ' 49' ' ' TYR . 22.1 mm-40 -70.85 -38.13 73.14 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 116.292 -2.163 . . . . 2.02 105.801 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.447 HD12 ' N ' ' B' ' 48' ' ' LEU . 8.0 mp -65.68 -4.29 6.09 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 114.104 -1.407 . . . . 1.52 108.722 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' B' ' 47' ' ' GLU . 56.6 t80 -107.94 -82.91 0.55 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 100.281 -3.97 . . . . 1.3999999999999999 100.281 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 30.8 mtm180 -33.42 -70.86 0.07 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.126 1.528 . . . . 2.29 115.126 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -57.77 -34.99 70.17 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.754 -1.179 . . . . 2.1099999999999999 109.893 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.555 ' SG ' ' HG3' ' A' ' 34' ' ' GLN . 77.5 m -70.37 -26.62 63.8 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 116.076 -2.25 . . . . 2.4100000000000001 109.197 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.84 -39.93 90.93 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 103.481 -2.785 . . . . 1.5800000000000001 103.481 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.26 68.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 117.082 -1.847 . . . . 2.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.442 HH21 ' CG ' ' A' ' 30' ' ' ASP . 10.5 mmm180 -77.29 -19.1 56.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 117.991 -1.484 . . . . 3.6499999999999999 111.967 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 . . . . . 0 N--CA 1.491 1.622 0 C-N-CA 118.365 -1.334 . . . . 3.1099999999999999 108.915 -179.091 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.111 0.958 . . . . 2.5299999999999998 108.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -63.86 -22.33 66.87 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.973 -1.491 . . . . 3.7799999999999998 112.507 -178.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.498 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 5.9 m -78.16 -38.02 44.54 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 116.408 -2.117 . . . . 1.8200000000000001 109.301 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.1 75.32 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.756 -2.313 . . . . 0.87 104.756 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -58.18 -65.35 0.66 Allowed 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 113.353 -1.749 . . . . 2.3700000000000001 109.54 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 11' ' ' MET . 0.4 OUTLIER -61.91 -21.13 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 118.065 -1.454 . . . . 2.1499999999999999 112.257 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' HD22 ' A' ' 10' ' ' ASN . 75.9 mmm -84.9 -21.85 29.53 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 117.094 -1.842 . . . . 2.4199999999999999 108.568 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.36 -45.39 76.44 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 102.678 -3.082 . . . . 0.67000000000000004 102.678 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -59.39 -26.8 65.43 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 111.551 -2.568 . . . . 3.1499999999999999 108.119 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.63 -49.54 68.31 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.366 -1.734 . . . . 2.71 107.645 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.0 mt -57.6 -38.58 64.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 C-N-CA 118.552 -1.259 . . . . 0.93000000000000005 108.179 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 ttt180 -56.16 -43.61 78.5 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 118.365 -1.334 . . . . 2.6800000000000002 107.505 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 m -63.78 -43.69 95.6 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.687 -1.205 . . . . 0.71999999999999997 110.698 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.92 -48.55 75.49 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 118.057 -1.457 . . . . 1.8 109.51 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.7 m -56.78 -35.48 68.74 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.451 -1.25 . . . . 0.56000000000000005 111.265 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.64 -45.92 92.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.747 -1.575 . . . . 1.3100000000000001 106.747 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -58.82 -37.17 75.79 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 114.015 -1.448 . . . . 1.02 108.484 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.07 -44.98 96.56 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.096 -1.842 . . . . 1.71 108.899 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.8 tp -49.72 -45.27 49.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 124.347 1.029 . . . . 1.0800000000000001 108.651 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.34 -43.21 88.2 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.686 -1.143 . . . . 1.8400000000000001 108.967 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.4 -36.5 84.16 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 116.9 -1.92 . . . . 1.8600000000000001 110.175 -178.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.504 HD22 ' SG ' ' A' ' 38' ' ' CYS . 11.0 mp -70.66 -22.37 62.5 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.538 -1.665 . . . . 1.22 107.832 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -64.49 -35.15 80.03 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.501 -1.666 . . . . 1.7 106.501 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -53.44 57.48 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 118.367 -1.333 . . . . 2.6099999999999999 108.134 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.4 mp -89.98 25.7 2.05 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.27 -0.972 . . . . 1.79 112.348 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.445 ' CG ' HH22 ' B' ' 55' ' ' ARG . 6.7 p-10 33.84 31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 125.443 1.715 . . . . 2.4500000000000002 112.7 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -68.69 86.17 0.32 Allowed 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.073 -1.051 . . . . 0.89000000000000001 109.373 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.67 -52.63 63.56 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 125.102 1.501 . . . . 2.8300000000000001 110.876 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -49.49 -57.14 7.59 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.082 -1.417 . . . . 2.1499999999999999 110.224 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -72.39 -15.08 61.85 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 117.432 -1.707 . . . . 2.2599999999999998 110.144 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.05 78.59 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 103.667 -2.716 . . . . 0.65000000000000002 103.667 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.58 -53.62 56.3 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 117.448 -1.701 . . . . 1.6699999999999999 107.761 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.1 mt -52.62 -34.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 C-N-CA 117.947 -1.501 . . . . 1.1200000000000001 109.558 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.504 ' SG ' HD22 ' A' ' 26' ' ' LEU . 55.6 m -70.04 -37.96 75.73 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 117.599 -1.64 . . . . 0.69999999999999996 111.062 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.08 -47.48 51.12 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 117.954 -1.498 . . . . 2.8199999999999998 108.691 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' HIS . 17.5 m -59.45 -35.04 73.3 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 118.741 -1.184 . . . . 0.77000000000000002 108.369 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -72.13 -42.65 65.77 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.019 0.914 . . . . 1.22 108.566 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 84.4 t60 -52.06 -50.98 60.44 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 112.921 -1.945 . . . . 1.21 108.552 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.06 -24.04 38.09 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.886 -1.506 . . . . 1.8600000000000001 112.27 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CE1' HG23 ' B' ' 37' ' ' ILE . 67.2 t60 -65.18 -35.82 82.27 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.22 -2.141 . . . . 2.2400000000000002 105.22 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.17 69.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 105.955 -1.868 . . . . 0.69999999999999996 105.955 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' CG ' ' NH1' ' A' ' 16' ' ' ARG . 36.9 t70 -68.34 -16.58 63.99 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.078 -1.449 . . . . 1.45 110.247 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 49' ' ' TYR . 9.4 mm-40 -65.01 -33.22 75.53 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 116.016 -2.274 . . . . 2.02 105.898 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.39 11.36 0.79 Allowed 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 113.623 -1.626 . . . . 1.52 108.832 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' A' ' 47' ' ' GLU . 44.6 t80 -120.15 -37.03 3.13 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 103.054 -2.943 . . . . 1.3999999999999999 103.054 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -75.28 -79.75 0.09 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.518 -1.219 . . . . 2.29 112.716 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB2' ' NE2' ' B' ' 34' ' ' GLN . 15.0 m -55.96 -21.2 19.6 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.558 -0.857 . . . . 2.1099999999999999 111.029 -178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' B' ' 34' ' ' GLN . 50.9 m -73.57 -47.69 38.62 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 117.724 -1.591 . . . . 2.4100000000000001 106.82 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.5 -32.29 73.17 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 117.591 -1.644 . . . . 1.5800000000000001 108.328 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.458 0 C-N-CA 118.692 -1.203 . . . . 2.0 110.708 -179.261 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 107.555 -1.276 . . . . 2.5299999999999998 107.555 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -57.58 -26.01 60.83 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.173 -1.376 . . . . 3.7799999999999998 109.075 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.7 m -78.17 -34.97 49.36 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.38 -1.328 . . . . 1.8200000000000001 110.737 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.3 70.07 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 106.095 -1.817 . . . . 0.87 106.095 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tt -56.56 -52.84 63.28 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 111.391 -2.641 . . . . 2.3700000000000001 105.084 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.18 -49.5 73.85 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.559 -1.655 . . . . 2.1499999999999999 110.041 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.9 mmm -55.58 -39.49 70.76 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.214 -0.994 . . . . 2.4199999999999999 111.353 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.14 86.13 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.668 -1.613 . . . . 0.67000000000000004 107.939 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' B' ' 13' ' ' ARG . 2.8 tpm_? -67.62 -39.97 84.68 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 117.338 -1.745 . . . . 3.1499999999999999 109.958 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -65.66 -45.69 81.96 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.633 -1.227 . . . . 2.71 109.895 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.6 mt -53.72 -44.87 60.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 CA-C-N 115.439 -0.8 . . . . 0.93000000000000005 109.329 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' B' ' 42' ' ' HIS . 52.9 ttt85 -49.98 -52.98 29.56 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 118.428 -1.309 . . . . 2.6800000000000002 107.961 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -53.79 -49.37 68.44 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.057 -1.429 . . . . 0.71999999999999997 110.57 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.08 -39.37 78.37 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 118.478 -1.289 . . . . 1.8 110.552 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -59.97 -34.91 73.92 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 117.826 -1.55 . . . . 0.56000000000000005 109.626 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.45 -44.45 96.38 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 117.355 -1.738 . . . . 1.3100000000000001 106.385 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -61.57 -37.22 83.03 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.593 -1.243 . . . . 1.02 110.617 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.66 -32.58 68.06 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 118.168 -1.413 . . . . 1.71 109.389 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.66 -53.03 60.17 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.998 -1.081 . . . . 1.0800000000000001 109.79 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.446 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 17.3 mt-10 -43.69 -57.07 3.39 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 125.552 1.783 . . . . 1.8400000000000001 108.866 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 29' ' ' LEU . 35.5 mmtm -57.44 -50.87 71.61 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 111.9 -2.409 . . . . 1.8600000000000001 112.134 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -55.81 -29.41 59.7 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.19 -1.404 . . . . 1.22 110.223 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -67.15 -40.03 86.64 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 117.571 -1.652 . . . . 1.7 107.241 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.41 -32.48 64.45 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.828 -1.149 . . . . 2.6099999999999999 111.458 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 25' ' ' LYS . 44.5 mt -77.24 20.21 0.29 Allowed 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 115.187 1.551 . . . . 1.79 115.187 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.82 33.3 16.72 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 105.97 -1.863 . . . . 2.4500000000000002 105.97 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.426 ' HB1' ' CG ' ' B' ' 34' ' ' GLN . . . -111.45 68.97 0.67 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.326 -1.361 . . . . 0.89000000000000001 107.326 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -59.85 -58.6 7.84 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.235 -1.802 . . . . 2.8300000000000001 112.151 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -24.82 67.83 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.303 -1.359 . . . . 2.1499999999999999 109.994 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' A' ' 52' ' ' CYS . 3.5 mm-40 -74.39 -27.68 60.75 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 116.496 -2.082 . . . . 2.2599999999999998 105.782 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -58.16 8.33 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 104.505 -2.406 . . . . 0.65000000000000002 104.505 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.62 -59.02 3.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 125.076 1.485 . . . . 1.6699999999999999 111.377 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' A' ' 44' ' ' HIS . 72.2 mt -55.01 -30.85 24.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 CA-C-N 113.851 -1.522 . . . . 1.1200000000000001 109.876 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 51.5 t -80.52 -27.22 37.72 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.696 -1.202 . . . . 0.69999999999999996 110.346 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.93 -41.86 64.09 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.523 -2.399 . . . . 2.8199999999999998 104.523 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 26.7 m -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.044 -1.836 . . . . 0.77000000000000002 106.044 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.33 -39.74 88.13 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.369 -0.932 . . . . 1.22 108.798 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.503 ' CG ' HH11 ' B' ' 16' ' ' ARG . 3.0 t60 -52.65 -53.67 43.9 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 113.459 -1.7 . . . . 1.21 110.182 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.21 -29.71 34.47 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.15 -1.82 . . . . 1.8600000000000001 112.227 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.56 -26.24 67.03 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 117.519 -1.672 . . . . 2.2400000000000002 108.532 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.18 74.73 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.276 -2.861 . . . . 0.69999999999999996 103.276 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.435 ' HB3' HH12 ' B' ' 50' ' ' ARG . 33.7 t0 -77.21 -20.53 55.18 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 113.242 -1.799 . . . . 1.45 106.83 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.46 -36.59 73.99 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 116.481 -2.088 . . . . 2.02 106.692 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.421 HD21 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -64.73 -43.77 92.31 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.988 -2.597 . . . . 1.52 103.988 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 80.7 t80 -54.77 -45.98 74.32 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.553 -1.203 . . . . 1.3999999999999999 110.896 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.435 HH12 ' HB3' ' B' ' 46' ' ' ASP . 56.8 mtm-85 -67.18 -55.76 12.78 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.635 -0.826 . . . . 2.29 110.476 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.0 m -56.12 -25.21 45.01 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.451 -1.25 . . . . 2.1099999999999999 110.405 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' B' ' 56' ' ' PHE . 52.4 t -66.73 -47.48 72.17 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.064 -2.198 . . . . 2.4100000000000001 105.064 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.45 -37.66 73.21 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.003 -1.479 . . . . 1.5800000000000001 108.159 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.22 -60.34 3.32 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 115.121 1.526 . . . . 2.0 115.121 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.445 HH22 ' CG ' ' A' ' 30' ' ' ASP . 26.4 ttt180 -85.66 -34.01 21.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 116.658 -2.017 . . . . 3.6499999999999999 112.081 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' SG ' ' B' ' 52' ' ' CYS . 2.2 m-30 . . . . . 0 C--N 1.298 -1.659 0 C-N-CA 116.53 -2.068 . . . . 3.1099999999999999 107.605 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 21.8 mp0 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 104.038 -2.579 . . . . 2.5299999999999998 104.038 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.58 -32.91 71.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.753 -1.579 . . . . 3.7799999999999998 107.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 m -69.46 -37.99 77.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.52 -1.672 . . . . 1.8200000000000001 107.2 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -27.01 67.49 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.972 -1.091 . . . . 0.87 109.2 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.89 -41.71 97.64 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 104.978 -2.23 . . . . 2.3700000000000001 104.978 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -71.1 -35.88 71.98 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.007 -1.477 . . . . 2.1499999999999999 112.512 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.466 ' SD ' ' HG ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -72.67 -29.61 63.57 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 115.818 -2.353 . . . . 2.4199999999999999 107.917 -178.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 105.715 -1.957 . . . . 0.67000000000000004 105.715 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 38.5 ttm180 -63.08 -30.51 71.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.578 -1.647 . . . . 3.1499999999999999 107.556 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.38 -47.93 83.58 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.209 -1.797 . . . . 2.71 108.037 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.85 -36.8 63.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.825 -1.15 . . . . 0.93000000000000005 108.056 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.464 HH21 ' CD2' ' A' ' 42' ' ' HIS . 18.1 mtp180 -61.8 -52.37 64.47 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.188 -1.805 . . . . 2.6800000000000002 110.683 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -61.53 -34.15 75.05 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.856 -1.066 . . . . 0.71999999999999997 110.914 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.46 -54.17 36.66 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.153 -1.795 . . . . 1.8 106.153 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -60.78 -26.53 67.32 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.159 -1.837 . . . . 0.56000000000000005 109.502 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.34 -55.32 14.31 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 117.784 -1.566 . . . . 1.3100000000000001 107.199 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -67.39 -19.12 65.36 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.984 -1.462 . . . . 1.02 108.896 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.05 -35.41 56.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.991 -1.855 . . . . 1.71 105.991 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.86 -53.79 54.37 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 105.781 -1.933 . . . . 1.0800000000000001 105.781 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.6 -67.34 0.27 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.746 -2.479 . . . . 1.8400000000000001 109.255 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -53.15 -29.57 32.04 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 113.975 -1.466 . . . . 1.8600000000000001 113.089 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.68 -35.64 72.91 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.516 -1.674 . . . . 1.22 107.719 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -64.67 -36.84 85.56 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.345 -1.724 . . . . 1.7 106.345 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -71.59 -32.69 68.31 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.05 -1.06 . . . . 2.6099999999999999 110.335 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp -89.29 20.67 3.66 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.077 -1.049 . . . . 1.79 110.838 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' B' ' 55' ' ' ARG . 36.5 t70 54.44 72.3 0.47 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 124.423 1.077 . . . . 2.4500000000000002 108.268 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.76 121.43 13.41 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.33 -1.729 . . . . 0.89000000000000001 106.33 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' CG ' HH22 ' B' ' 55' ' ' ARG . 43.4 m-20 -105.3 -68.52 0.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 124.95 1.406 . . . . 2.8300000000000001 108.168 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -44.63 -42.12 7.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.922 1.389 . . . . 2.1499999999999999 110.715 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' B' ' 52' ' ' CYS . 17.8 mt-30 -69.18 -40.25 78.21 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.422 -1.311 . . . . 2.2599999999999998 109.282 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.4 96.43 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.227 -1.389 . . . . 0.65000000000000002 109.285 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -58.7 -63.29 1.34 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.361 -0.936 . . . . 1.6699999999999999 109.635 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -27.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.905 -1.118 . . . . 1.1200000000000001 109.682 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.09 -42.87 93.67 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.871 -1.529 . . . . 0.69999999999999996 106.871 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -66.6 -36.39 82.5 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 106.352 -1.721 . . . . 2.8199999999999998 106.352 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -64.3 -30.92 71.95 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 116.84 -1.944 . . . . 0.77000000000000002 107.935 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.28 -34.89 68.52 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 104.43 -2.433 . . . . 1.22 104.43 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CD2' HH21 ' A' ' 16' ' ' ARG . 63.0 t60 -61.88 -53.76 51.3 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.108 -1.037 . . . . 1.21 110.824 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.82 -38.26 79.75 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 117.879 -1.528 . . . . 1.8600000000000001 110.751 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -65.88 -28.5 69.0 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 115.968 -2.293 . . . . 2.2400000000000002 107.173 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.73 -26.04 59.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 104.119 -2.548 . . . . 0.69999999999999996 104.119 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 40.9 t0 -71.39 -29.61 65.14 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 104.722 -2.325 . . . . 1.45 104.722 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 49' ' ' TYR . 57.2 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 102.462 -3.162 . . . . 2.02 102.462 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 tp -75.65 16.41 0.39 Allowed 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.345 -1.298 . . . . 1.52 109.311 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.588 ' HA ' ' HG ' ' A' ' 52' ' ' CYS . 70.4 t80 -128.85 -24.39 2.96 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.795 -1.558 . . . . 1.3999999999999999 106.795 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.463 HH21 ' CG ' ' A' ' 47' ' ' GLU . 79.9 mtm180 -103.26 -63.1 1.21 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.322 -1.362 . . . . 2.29 107.322 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 m -59.76 -30.92 69.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 105.107 -2.182 . . . . 2.1099999999999999 105.107 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.588 ' HG ' ' HA ' ' A' ' 49' ' ' TYR . 11.9 p -72.05 -31.85 66.54 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 116.301 -2.159 . . . . 2.4100000000000001 108.383 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.42 -25.86 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.387 -1.338 . . . . 1.5800000000000001 107.387 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.693 0 C-N-CA 117.943 -1.503 . . . . 2.0 109.259 179.107 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 66.3 mt-10 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 106.919 -1.511 . . . . 2.5299999999999998 106.919 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -62.28 -23.58 66.79 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.066 -1.454 . . . . 3.7799999999999998 110.201 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -73.58 -49.04 28.31 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.261 -1.755 . . . . 1.8200000000000001 106.261 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.224 -1.028 . . . . 0.87 108.224 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.44 -42.23 98.43 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.246 -1.391 . . . . 2.3700000000000001 107.246 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.85 -37.05 85.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.045 -1.462 . . . . 2.1499999999999999 109.226 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.86 -39.86 94.23 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.15 -1.42 . . . . 2.4199999999999999 109.865 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.65 95.0 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.302 -1.359 . . . . 0.67000000000000004 108.542 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' B' ' 49' ' ' TYR . 41.5 ttm180 -64.72 -32.43 74.1 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.348 -1.341 . . . . 3.1499999999999999 107.968 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.16 -49.29 76.44 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.435 -1.706 . . . . 2.71 108.308 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mt -53.84 -43.1 55.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 C-N-CA 118.697 -1.201 . . . . 0.93000000000000005 109.122 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.562 HH21 ' CD2' ' B' ' 42' ' ' HIS . 25.5 ttt85 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.67 -1.612 . . . . 2.6800000000000002 108.827 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -69.38 -33.79 73.57 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.326 -0.95 . . . . 0.71999999999999997 111.252 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.51 -44.84 93.12 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.673 -1.603 . . . . 1.8 106.673 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.456 HG22 ' SG ' ' B' ' 38' ' ' CYS . 25.6 m -63.66 -39.79 95.22 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 113.38 -1.736 . . . . 0.56000000000000005 109.797 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' B' ' 42' ' ' HIS . 67.1 tp -61.59 -58.77 6.78 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.282 -1.367 . . . . 1.3100000000000001 110.982 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -59.45 -38.45 80.74 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.257 -1.338 . . . . 1.02 110.746 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' SD ' ' A' ' 11' ' ' MET . 3.5 mm? -69.69 -27.99 65.47 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 116.969 -1.892 . . . . 1.71 109.557 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.2 -46.1 75.87 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.195 -1.402 . . . . 1.0800000000000001 107.739 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.428 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 18.2 mt-10 -52.35 -57.43 9.8 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.879 -1.897 . . . . 1.8400000000000001 105.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.428 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 36.3 mmtm -59.38 -23.08 62.28 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 112.649 -2.069 . . . . 1.8600000000000001 112.018 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.17 -33.22 65.32 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 116.068 -2.253 . . . . 1.22 105.148 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -65.94 -50.79 63.12 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 117.679 -1.608 . . . . 1.7 107.729 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.39 -33.91 73.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.231 -0.895 . . . . 2.6099999999999999 110.793 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 31' ' ' ALA . 74.6 mt -90.01 39.71 0.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.223 -0.899 . . . . 1.79 109.635 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 34.03 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 O-C-N 126.202 2.189 . . . . 2.4500000000000002 114.711 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' B' ' 34' ' ' GLN . . . -108.15 46.39 0.96 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 103.929 -2.619 . . . . 0.89000000000000001 103.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.511 -1.222 . . . . 2.8300000000000001 109.555 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.612 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.0 OUTLIER -59.72 -42.17 92.49 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 105.686 -1.968 . . . . 2.1499999999999999 105.686 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.42 ' CG ' ' HB1' ' B' ' 31' ' ' ALA . 76.1 mm-40 -68.59 -22.67 64.44 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 117.447 -1.701 . . . . 2.2599999999999998 108.676 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.92 94.4 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 106.03 -1.841 . . . . 0.65000000000000002 106.03 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -54.06 50.47 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 123.041 1.4 . . . . 1.6699999999999999 109.043 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 57.1 mt -56.6 -30.54 32.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 113.07 -1.877 . . . . 1.1200000000000001 108.297 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' B' ' 19' ' ' THR . 33.7 t -75.86 -26.68 57.34 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.068 -1.053 . . . . 0.69999999999999996 110.163 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 53.5 mt-10 -68.86 -43.84 74.56 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.5 -2.037 . . . . 2.8199999999999998 105.5 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -58.87 -51.72 68.79 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 117.614 -1.634 . . . . 0.77000000000000002 107.602 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.1 -33.63 69.31 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.118 -0.946 . . . . 1.22 109.612 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.562 ' CD2' HH21 ' B' ' 16' ' ' ARG . 30.1 t60 -59.08 -55.43 35.21 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.273 -1.33 . . . . 1.21 109.929 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 16.7 t70 -79.14 -17.69 54.56 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 115.812 -2.355 . . . . 1.8600000000000001 110.021 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.616 -1.994 . . . . 2.2400000000000002 105.616 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.57 64.24 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 103.945 -2.613 . . . . 0.69999999999999996 103.945 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.92 -26.39 36.8 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.387 -1.725 . . . . 1.45 107.454 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.511 ' CD ' HH11 ' B' ' 50' ' ' ARG . 46.9 mm-40 -58.9 -35.34 72.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 104.072 -2.566 . . . . 2.02 104.072 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.86 -50.08 58.52 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 117.879 -1.528 . . . . 1.52 107.119 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 64.7 t80 -49.48 -62.65 1.43 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 113.7 -1.591 . . . . 1.3999999999999999 112.402 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.511 HH11 ' CD ' ' B' ' 47' ' ' GLU . 12.1 ptp180 -58.46 -37.53 75.65 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.773 -0.648 . . . . 2.29 110.309 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 73.1 m -66.94 -25.96 66.6 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 117.219 -1.792 . . . . 2.1099999999999999 109.757 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . 73.1 m -69.44 -48.46 60.84 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.511 -2.403 . . . . 2.4100000000000001 104.511 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.55 -22.8 64.05 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 114.418 -1.265 . . . . 1.5800000000000001 109.51 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.12 -59.07 2.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 117.624 -1.63 . . . . 2.0 110.887 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.4 ttt180 -67.56 -52.29 40.46 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 117.934 -1.507 . . . . 3.6499999999999999 110.409 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.456 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 15.6 m-85 . . . . . 0 C--N 1.3 -1.578 0 C-N-CA 118.339 -1.344 . . . . 3.1099999999999999 109.503 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.214 -0.777 0 CA-C-O 122.214 1.007 . . . . 2.5299999999999998 110.127 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -54.49 -37.17 64.98 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.216 -1.811 . . . . 3.7799999999999998 107.819 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -59.21 -46.69 87.78 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.622 -1.172 . . . . 1.8200000000000001 109.509 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.68 83.28 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.65 -1.22 . . . . 0.87 109.04 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.09 -23.83 60.58 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 116.763 -1.975 . . . . 2.3700000000000001 108.755 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.22 -27.55 66.47 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 104.947 -2.242 . . . . 2.1499999999999999 104.947 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.5 mtp -80.76 -24.36 38.72 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.13 -1.804 . . . . 2.4199999999999999 106.13 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.29 70.57 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.441 -1.688 . . . . 0.67000000000000004 106.441 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -60.24 -32.44 71.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 105.995 -1.854 . . . . 3.1499999999999999 105.995 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -64.83 -36.76 85.36 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.614 -1.634 . . . . 2.71 108.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.56 -40.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 105.785 -1.932 . . . . 0.93000000000000005 105.785 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.526 ' HG2' ' ND1' ' A' ' 42' ' ' HIS . 9.5 ttt85 -58.0 -50.03 74.79 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 105.73 -1.952 . . . . 2.6800000000000002 105.73 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 m -55.22 -34.55 64.05 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.581 -1.19 . . . . 0.71999999999999997 113.267 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -63.47 -46.87 84.19 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.086 -1.846 . . . . 1.8 106.417 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -63.55 -21.23 66.23 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.544 -2.116 . . . . 0.56000000000000005 109.299 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -69.59 -59.48 2.94 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.845 -2.65 . . . . 1.3100000000000001 103.845 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -21.55 30.1 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 113.675 -1.602 . . . . 1.02 110.415 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.63 -40.21 23.27 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 117.316 -1.754 . . . . 1.71 107.093 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.2 -59.71 4.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.224 -1.353 . . . . 1.0800000000000001 110.601 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 2.8 pt-20 -55.1 -49.29 72.09 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.901 -1.12 . . . . 1.8400000000000001 111.788 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HZ3' ' CD ' ' A' ' 24' ' ' GLU . 9.6 mmtm -58.97 -41.95 88.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.527 -1.269 . . . . 1.8600000000000001 111.675 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.72 -40.79 98.3 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.368 -1.733 . . . . 1.22 107.64 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.1 -46.6 82.46 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.3 -1.318 . . . . 1.7 108.947 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.0 -26.14 67.4 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 113.919 -1.491 . . . . 2.6099999999999999 110.653 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.99 25.0 2.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.852 -1.139 . . . . 1.79 108.26 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 51.97 18.72 0.85 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.729 1.268 . . . . 2.4500000000000002 110.31 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB1' ' NE2' ' A' ' 34' ' ' GLN . . . -96.5 60.54 1.9 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 104.775 -2.306 . . . . 0.89000000000000001 104.775 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.83 -25.19 62.73 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.321 -1.752 . . . . 2.8300000000000001 110.121 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 2.3 mp0 -58.91 -50.83 72.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.039 -2.208 . . . . 2.1499999999999999 105.039 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.5 ' NE2' ' HB1' ' A' ' 31' ' ' ALA . 52.6 mt-30 -67.44 -25.98 66.18 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 110.953 -2.84 . . . . 2.2599999999999998 108.407 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.24 79.84 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 117.011 -1.876 . . . . 0.65000000000000002 107.063 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.27 -57.21 13.19 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.483 -1.287 . . . . 1.6699999999999999 109.793 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.69 -32.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 114.061 -1.427 . . . . 1.1200000000000001 108.661 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 117.805 -1.558 . . . . 0.69999999999999996 110.73 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.69 -48.03 23.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 102.119 -3.289 . . . . 2.8199999999999998 102.119 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -52.18 -33.83 42.44 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 118.052 -1.459 . . . . 0.77000000000000002 109.247 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 tp -75.86 -36.6 59.53 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.309 -1.737 . . . . 1.22 106.309 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.526 ' ND1' ' HG2' ' A' ' 16' ' ' ARG . 12.7 t60 -58.85 -63.75 1.18 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.635 -1.62 . . . . 1.21 108.629 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 18.1 t70 -68.95 -18.55 64.1 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 117.392 -1.723 . . . . 1.8600000000000001 111.376 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -44.63 89.58 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 104.657 -2.349 . . . . 2.2400000000000002 104.657 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.45 -26.32 68.39 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.538 -1.265 . . . . 0.69999999999999996 108.142 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' CB ' ' NH1' ' A' ' 16' ' ' ARG . 15.0 t70 -78.56 -31.49 47.38 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 117.51 -1.676 . . . . 1.45 108.444 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.37 -42.59 98.87 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.83 -1.548 . . . . 2.02 112.04 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -69.61 -4.08 17.76 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 116.477 -2.089 . . . . 1.52 110.41 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.43 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 6.9 t80 -115.02 -6.09 12.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 124.716 1.26 . . . . 1.3999999999999999 108.438 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -108.94 -91.73 0.44 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.005 -0.998 . . . . 2.29 113.376 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -53.91 -40.24 66.51 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 118.306 -1.358 . . . . 2.1099999999999999 108.801 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.95 -44.19 85.75 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.073 -1.851 . . . . 2.4100000000000001 107.412 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 26.5 tp -55.56 -24.27 31.54 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 116.535 -2.066 . . . . 1.5800000000000001 112.014 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.717 0 O-C-N 125.13 1.519 . . . . 2.0 107.154 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.41 ' HB2' ' CE1' ' B' ' 56' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.904 0.383 . . . . 2.5299999999999998 110.712 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -32.33 73.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.727 -1.953 . . . . 3.7799999999999998 105.727 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -64.95 -36.82 85.61 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 106.548 -1.649 . . . . 1.8200000000000001 106.548 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.2 99.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.655 -1.618 . . . . 0.87 107.477 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' B' ' 49' ' ' TYR . 2.6 mm? -61.21 -34.52 75.22 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.595 -1.242 . . . . 2.3700000000000001 108.618 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -63.58 -31.35 72.49 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 117.945 -1.502 . . . . 2.1499999999999999 109.266 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 43.3 tpp -66.05 -41.36 90.95 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.427 -1.709 . . . . 2.4199999999999999 107.661 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.83 80.88 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.545 -1.28 . . . . 0.67000000000000004 107.545 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.404 HH11 ' C ' ' B' ' 13' ' ' ARG . 44.4 ttp85 -63.4 -32.67 74.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.712 -1.586 . . . . 3.1499999999999999 107.982 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.12 -39.52 86.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 118.23 -1.388 . . . . 2.71 109.736 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.57 -48.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 105.744 -1.947 . . . . 0.93000000000000005 105.744 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.497 HH12 ' HB2' ' B' ' 46' ' ' ASP . 17.0 ttm-85 -50.18 -42.91 52.07 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.26 -1.337 . . . . 2.6800000000000002 109.497 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -57.05 -50.96 71.14 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.261 -1.376 . . . . 0.71999999999999997 109.757 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.98 -35.2 77.8 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 117.525 -1.67 . . . . 1.8 110.534 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -55.22 -47.8 74.83 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 118.346 -1.341 . . . . 0.56000000000000005 107.812 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.25 -36.09 80.97 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.247 -1.381 . . . . 1.3100000000000001 107.981 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -62.41 -27.2 68.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.193 -1.403 . . . . 1.02 108.602 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.05 -21.87 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.298 -1.361 . . . . 1.71 109.588 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.41 -48.59 74.14 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 105.138 -2.171 . . . . 1.0800000000000001 105.138 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.491 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 15.2 tt0 -46.78 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 110.943 -2.844 . . . . 1.8400000000000001 109.474 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 55.9 mttp -55.59 -59.09 5.33 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 111.381 -2.645 . . . . 1.8600000000000001 113.077 -176.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -51.03 -31.06 17.13 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.068 -1.053 . . . . 1.22 111.282 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -74.26 -56.73 4.55 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 117.735 -1.586 . . . . 1.7 110.0 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' B' ' 30' ' ' ASP . 46.1 mm-40 -62.25 -13.41 27.8 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.205 -0.998 . . . . 2.6099999999999999 110.152 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -82.86 20.64 1.14 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.45 -0.9 . . . . 1.79 108.583 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' B' ' 28' ' ' GLU . 16.3 t70 55.28 75.49 0.31 Allowed 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.507 1.13 . . . . 2.4500000000000002 109.039 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.53 71.11 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 112.982 -1.917 . . . . 0.89000000000000001 106.805 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.76 -29.89 67.11 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.392 -1.336 . . . . 2.8300000000000001 107.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.74 -62.62 1.73 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.594 -2.002 . . . . 2.1499999999999999 105.594 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.441 ' HA ' HE21 ' B' ' 34' ' ' GLN . 3.4 mm-40 -55.33 -23.7 25.22 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.437 -1.256 . . . . 2.2599999999999998 110.165 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.69 58.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.569 -1.653 . . . . 0.65000000000000002 108.529 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.43 -63.65 1.05 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 117.968 -1.493 . . . . 1.6699999999999999 108.665 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 35.8 mm -44.54 -37.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 125.691 1.869 . . . . 1.1200000000000001 109.828 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 40.3 t -60.46 -52.91 63.18 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 117.169 -1.812 . . . . 0.69999999999999996 107.252 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' B' ' 42' ' ' HIS . 28.0 mm-40 -75.87 -4.59 41.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 115.915 -2.314 . . . . 2.8199999999999998 112.115 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -74.64 -32.86 62.4 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 100.825 -3.768 . . . . 0.77000000000000002 100.825 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.6 tp -67.08 -45.71 76.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 105.186 -2.153 . . . . 1.22 105.186 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.408 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 4.2 t60 -50.23 -56.61 10.38 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 113.964 -1.471 . . . . 1.21 109.248 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.33 -53.81 48.83 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.719 -1.128 . . . . 1.8600000000000001 112.04 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.04 -27.4 65.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.556 -1.202 . . . . 2.2400000000000002 110.587 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.14 67.12 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.36 -1.736 . . . . 0.69999999999999996 108.154 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.497 ' HB2' HH12 ' B' ' 16' ' ' ARG . 32.5 t0 -72.09 -28.53 63.37 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 116.92 -1.912 . . . . 1.45 107.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.87 -43.53 88.08 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 116.464 -2.094 . . . . 2.02 105.666 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -20.51 66.13 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.065 -1.425 . . . . 1.52 107.63 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.411 ' HA ' ' CD1' ' B' ' 9' ' ' LEU . 79.7 t80 -97.71 -89.58 0.29 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 118.106 -1.438 . . . . 1.3999999999999999 109.325 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -39.33 -60.54 0.9 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 114.455 1.28 . . . . 2.29 114.455 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.4 m -59.12 -54.37 47.79 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 117.704 -1.598 . . . . 2.1099999999999999 108.456 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 58.4 m -71.79 3.27 4.32 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 115.826 -2.35 . . . . 2.4100000000000001 111.052 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -42.42 11.16 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 115.499 -2.48 . . . . 1.5800000000000001 106.423 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.13 -42.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 125.233 1.583 . . . . 2.0 111.399 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 56' ' ' PHE . 8.5 ttp180 -117.8 -7.81 10.92 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 115.105 -0.952 . . . . 3.6499999999999999 109.654 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 26.2 t80 . . . . . 0 N--CA 1.485 1.311 1 N-CA-C 90.634 -7.543 . . . . 3.1099999999999999 90.634 -174.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.665 0.745 . . . . 2.5299999999999998 110.235 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.06 -33.43 74.37 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.605 -1.257 . . . . 3.7799999999999998 107.605 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 m -74.15 -33.29 63.45 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.249 -1.38 . . . . 1.8200000000000001 107.464 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.55 70.71 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.298 -0.961 . . . . 0.87 109.827 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 mt -74.01 -50.92 17.63 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.825 -1.55 . . . . 2.3700000000000001 108.464 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.46 -34.53 66.97 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.134 -1.432 . . . . 2.1499999999999999 107.134 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.579 ' SD ' HD13 ' B' ' 22' ' ' LEU . 12.4 tmm? -69.08 -46.66 67.22 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.462 -1.245 . . . . 2.4199999999999999 109.894 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.82 71.55 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.653 -1.219 . . . . 0.67000000000000004 108.402 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -70.99 -32.95 69.93 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 105.117 -2.179 . . . . 3.1499999999999999 105.117 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -67.33 -44.02 80.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.102 -1.439 . . . . 2.71 108.483 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.3 -40.45 81.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 106.024 -1.843 . . . . 0.93000000000000005 106.024 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.82 -33.33 75.44 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.428 -1.709 . . . . 2.6800000000000002 107.982 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 m -66.05 -35.66 81.14 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 106.809 -1.552 . . . . 0.71999999999999997 106.809 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.02 -34.67 73.57 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.512 -1.675 . . . . 1.8 107.91 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -64.84 -24.86 67.67 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 117.946 -1.502 . . . . 0.56000000000000005 107.203 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -48.88 56.04 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 102.035 -3.32 . . . . 1.3100000000000001 102.035 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 114.43 -1.259 . . . . 1.02 109.765 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 83.6 mt -85.02 -38.51 19.12 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.264 -1.375 . . . . 1.71 107.649 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.58 -35.0 75.01 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.154 -1.795 . . . . 1.0800000000000001 106.154 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -61.82 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 112.973 -1.921 . . . . 1.8400000000000001 107.456 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -45.74 -40.92 10.08 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.31 -1.768 . . . . 1.8600000000000001 114.41 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.57 -42.85 86.42 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 116.721 -1.992 . . . . 1.22 107.848 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -66.07 -55.73 15.07 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 117.706 -1.598 . . . . 1.7 112.573 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.56 -33.2 73.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 117.858 -1.537 . . . . 2.6099999999999999 111.416 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.7 mp -86.19 21.67 1.97 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.69 -1.604 . . . . 1.79 111.695 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.1 t70 54.39 75.22 0.3 Allowed 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.518 1.152 . . . . 2.4500000000000002 110.025 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -146.33 55.45 1.15 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 101.966 -3.346 . . . . 0.89000000000000001 101.966 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -52.36 -49.5 64.22 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 112.442 -2.163 . . . . 2.8300000000000001 113.325 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.31 -32.77 73.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 117.023 -1.871 . . . . 2.1499999999999999 108.767 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.3 -25.5 62.46 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 117.071 -1.851 . . . . 2.2599999999999998 106.079 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -53.35 31.28 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.076 -1.824 . . . . 0.65000000000000002 106.076 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -45.12 -56.0 5.16 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 122.68 1.229 . . . . 1.6699999999999999 110.367 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.04 -39.1 77.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-N 113.774 -1.557 . . . . 1.1200000000000001 109.317 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 22' ' ' LEU . 41.2 t -68.23 -30.83 69.98 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.178 -1.009 . . . . 0.69999999999999996 112.221 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -42.78 63.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.489 -1.671 . . . . 2.8199999999999998 106.489 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 m -63.29 -30.94 71.98 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.882 -1.525 . . . . 0.77000000000000002 106.882 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -74.43 -29.56 61.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.11 -1.441 . . . . 1.22 107.11 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -64.32 -49.11 73.05 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.042 -1.436 . . . . 1.21 108.322 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.2 -42.58 93.42 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.128 -1.429 . . . . 1.8600000000000001 107.939 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -58.68 -31.74 68.48 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 113.733 -1.576 . . . . 2.2400000000000002 109.265 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.531 -2.026 . . . . 0.69999999999999996 105.531 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -75.37 -20.99 58.66 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.241 -1.784 . . . . 1.45 106.322 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 13.0 tp10 -72.06 -39.19 69.23 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 104.548 -2.39 . . . . 2.02 104.548 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.8 tp -63.97 -12.19 35.42 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.818 -1.549 . . . . 1.52 106.818 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -97.4 -31.45 12.37 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.522 -1.658 . . . . 1.3999999999999999 106.522 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 47' ' ' GLU . 31.3 mtm-85 -77.59 -63.44 1.38 Allowed 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 112.834 0.679 . . . . 2.29 112.834 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 p -54.36 -41.08 68.73 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.425 -1.31 . . . . 2.1099999999999999 109.613 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 48' ' ' LEU . 96.9 m -62.65 -45.69 91.67 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.566 -1.654 . . . . 2.4100000000000001 108.137 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.39 -24.7 66.68 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.486 -1.286 . . . . 1.5800000000000001 109.089 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.581 0 C-N-CA 116.884 -1.926 . . . . 2.0 107.128 -179.704 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.552 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 32.8 mt-10 . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 122.017 0.913 . . . . 2.5299999999999998 108.733 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.62 -35.2 73.88 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.259 -1.337 . . . . 3.7799999999999998 108.982 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -63.53 -44.4 94.37 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.138 -1.43 . . . . 1.8200000000000001 107.138 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.93 72.27 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.689 -1.204 . . . . 0.87 108.965 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.81 -44.84 90.93 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.383 -1.71 . . . . 2.3700000000000001 106.383 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -66.75 -31.08 71.49 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 114.251 -1.341 . . . . 2.1499999999999999 110.357 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 37.8 mmt -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.503 -1.679 . . . . 2.4199999999999999 108.343 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.52 92.86 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.754 -1.578 . . . . 0.67000000000000004 107.453 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -62.76 -30.03 71.13 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 118.638 -1.225 . . . . 3.1499999999999999 109.499 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.21 -55.72 25.78 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.291 -1.364 . . . . 2.71 109.216 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.15 -31.95 27.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 112.881 -1.963 . . . . 0.93000000000000005 108.056 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.575 ' CZ ' ' HB2' ' B' ' 16' ' ' ARG . 23.9 ttm105 -65.53 -47.98 74.05 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 118.378 -1.329 . . . . 2.6800000000000002 110.038 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -54.64 -47.41 73.54 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.085 -0.961 . . . . 0.71999999999999997 111.041 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -66.41 -43.94 84.34 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 115.523 -2.471 . . . . 1.8 109.198 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -54.1 -33.71 58.34 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.123 -1.031 . . . . 0.56000000000000005 109.867 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.97 -56.53 19.98 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.155 -1.795 . . . . 1.3100000000000001 106.155 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -61.95 -26.78 68.4 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.169 -1.012 . . . . 1.02 111.046 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.579 HD13 ' SD ' ' A' ' 11' ' ' MET . 66.5 mt -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.477 -1.289 . . . . 1.71 109.584 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 23' ' ' LEU . 3.1 tm? -55.07 -47.81 74.38 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.005 -2.591 . . . . 1.0800000000000001 104.005 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.501 ' HA ' ' ND2' ' B' ' 27' ' ' ASN . 35.0 tt0 -56.96 -42.65 80.53 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 112.552 -2.113 . . . . 1.8400000000000001 108.099 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.423 ' N ' ' HZ3' ' B' ' 25' ' ' LYS . 6.4 mmtm -62.36 -30.17 70.99 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 117.353 -1.739 . . . . 1.8600000000000001 110.756 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 26' ' ' LEU . 4.2 mm? -70.74 -43.95 67.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 115.796 -2.362 . . . . 1.22 106.827 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.501 ' ND2' ' HA ' ' B' ' 24' ' ' GLU . 7.2 p30 -75.81 -11.44 59.98 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 117.8 -1.56 . . . . 1.7 109.795 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' B' ' 30' ' ' ASP . 42.2 tt0 -71.93 -46.59 57.05 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.686 -2.709 . . . . 2.6099999999999999 103.686 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' B' ' 31' ' ' ALA . 39.0 mt -89.99 40.04 0.99 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.44 -1.709 . . . . 1.79 107.196 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' B' ' 28' ' ' GLU . 5.1 p-10 34.21 21.03 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 126.809 2.568 . . . . 2.4500000000000002 114.585 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.69 63.99 4.78 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 103.318 -2.845 . . . . 0.89000000000000001 103.318 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.37 -27.28 68.45 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.021 -1.445 . . . . 2.8300000000000001 108.919 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.4 mp0 -63.92 -50.17 69.77 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 104.732 -2.322 . . . . 2.1499999999999999 104.732 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.463 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -69.18 -14.67 63.11 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 116.341 -2.144 . . . . 2.2599999999999998 109.069 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.94 69.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.209 -2.145 . . . . 0.65000000000000002 105.209 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.39 -47.35 84.17 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 117.843 -1.543 . . . . 1.6699999999999999 108.737 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.05 -33.61 43.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 113.918 -1.492 . . . . 1.1200000000000001 107.864 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.74 -38.58 86.93 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.167 -1.79 . . . . 0.69999999999999996 106.167 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.56 -19.29 60.39 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.177 -1.809 . . . . 2.8199999999999998 109.272 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -68.73 -37.46 79.47 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 101.846 -3.39 . . . . 0.77000000000000002 101.846 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.03 -40.06 87.14 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 106.636 -1.616 . . . . 1.22 106.636 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -53.64 -59.94 3.95 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.52 -0.764 . . . . 1.21 110.039 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.76 -44.73 84.99 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.893 1.071 . . . . 1.8600000000000001 113.893 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.24 -23.51 65.72 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.482 -1.687 . . . . 2.2400000000000002 108.898 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.3 -24.0 46.89 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 103.629 -2.73 . . . . 0.69999999999999996 103.629 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.535 ' HA ' ' CZ ' ' B' ' 16' ' ' ARG . 8.3 t70 -80.0 -18.69 49.61 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 105.767 -1.938 . . . . 1.45 105.767 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' B' ' 49' ' ' TYR . 19.0 mm-40 -65.58 -26.56 67.91 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 104.459 -2.422 . . . . 2.02 104.459 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -83.82 38.48 0.64 Allowed 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.109 -1.812 . . . . 1.52 106.109 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' B' ' 47' ' ' GLU . 30.3 t80 -148.58 -43.94 0.15 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 100.975 -3.713 . . . . 1.3999999999999999 100.975 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.516 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 41.4 mtm-85 -74.55 -70.01 0.43 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 105.866 -1.901 . . . . 2.29 105.866 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.8 m -57.29 -38.75 74.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.433 -1.258 . . . . 2.1099999999999999 108.264 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 65.4 m -63.37 -35.83 81.71 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 116.206 -2.198 . . . . 2.4100000000000001 109.972 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -71.25 -23.22 61.95 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.172 -1.411 . . . . 1.5800000000000001 107.973 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.59 69.37 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.129 -1.828 . . . . 2.0 108.538 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -101.48 -29.49 11.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.323 -1.351 . . . . 3.6499999999999999 108.945 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.552 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 13.8 m-30 . . . . . 0 N--CA 1.491 1.603 0 CA-C-N 115.513 -0.767 . . . . 3.1099999999999999 109.883 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 103.833 -2.654 . . . . 2.5299999999999998 103.833 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -61.95 -38.07 87.1 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.183 -1.414 . . . . 3.7799999999999998 107.183 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 m -56.98 -44.07 82.33 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.65 -1.22 . . . . 1.8200000000000001 109.099 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -57.52 11.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.874 -1.53 . . . . 0.87 109.766 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.41 -12.81 59.07 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.666 -1.152 . . . . 2.3700000000000001 111.677 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.562 -1.655 . . . . 2.1499999999999999 106.753 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmm -68.31 -41.16 81.27 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 105.98 -1.859 . . . . 2.4199999999999999 105.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.15 73.62 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.669 -1.212 . . . . 0.67000000000000004 108.544 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 36.4 ttp180 -62.17 -43.77 98.08 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 106.175 -1.787 . . . . 3.1499999999999999 106.175 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.44 ' CE1' ' NH2' ' A' ' 13' ' ' ARG . 23.5 m-85 -62.04 -37.44 84.96 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 117.268 -1.773 . . . . 2.71 108.851 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -59.6 -41.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 C-N-CA 116.859 -1.936 . . . . 0.93000000000000005 107.439 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.558 HH21 ' CG ' ' A' ' 42' ' ' HIS . 22.8 ttt85 -61.14 -36.63 80.28 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.642 -1.623 . . . . 2.6800000000000002 107.588 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.42 -40.5 95.89 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.289 -1.364 . . . . 0.71999999999999997 109.337 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.35 -33.01 74.33 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.054 -1.459 . . . . 1.8 108.322 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.7 m -64.82 -28.18 69.39 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.012 -1.477 . . . . 0.56000000000000005 107.012 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.72 -51.44 64.96 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 103.308 -2.849 . . . . 1.3100000000000001 103.308 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 m -53.11 -35.25 59.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.211 -1.396 . . . . 1.02 110.021 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.08 -45.03 90.52 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 116.726 -1.989 . . . . 1.71 107.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.29 -48.83 45.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 124.321 1.013 . . . . 1.0800000000000001 108.486 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 78.4 mt-10 -51.96 -68.08 0.2 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.816 -1.538 . . . . 1.8400000000000001 110.696 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -49.43 -40.64 37.39 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 113.925 -1.488 . . . . 1.8600000000000001 111.178 -177.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.36 -39.21 92.03 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 118.471 -1.292 . . . . 1.22 110.102 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.1 -44.66 83.74 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 117.748 -1.581 . . . . 1.7 108.519 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.13 -46.2 86.03 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.241 -1.345 . . . . 2.6099999999999999 111.668 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.1 mp -89.71 24.4 2.36 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.719 -1.192 . . . . 1.79 112.455 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.8 t0 48.44 70.72 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 122.92 1.343 . . . . 2.4500000000000002 111.598 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.73 60.8 1.69 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 102.377 -3.194 . . . . 0.89000000000000001 102.377 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.86 -47.54 84.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.894 -1.503 . . . . 2.8300000000000001 113.076 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -40.34 85.29 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 117.091 -1.844 . . . . 2.1499999999999999 109.111 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -72.9 -22.41 60.75 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 116.978 -1.889 . . . . 2.2599999999999998 107.382 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.68 78.23 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 105.662 -1.977 . . . . 0.65000000000000002 105.662 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.66 -53.76 53.9 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.596 -1.242 . . . . 1.6699999999999999 110.514 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.71 -32.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 117.965 -1.494 . . . . 1.1200000000000001 107.268 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.45 -29.64 65.1 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 117.674 -1.61 . . . . 0.69999999999999996 109.393 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.2 -53.4 9.9 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.053 0.93 . . . . 2.8199999999999998 109.277 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 p -56.74 -34.03 67.14 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 118.279 -1.368 . . . . 0.77000000000000002 107.607 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -75.13 -35.32 61.7 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.84 -1.144 . . . . 1.22 108.249 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CG ' HH21 ' A' ' 16' ' ' ARG . 1.3 t60 -51.25 -46.18 62.27 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 113.86 -1.518 . . . . 1.21 107.813 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' CG ' HH22 ' A' ' 16' ' ' ARG . 4.3 m-20 -90.92 -21.3 21.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.997 -1.081 . . . . 1.8600000000000001 112.32 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.97 -39.68 94.68 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.044 -1.836 . . . . 2.2400000000000002 106.044 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.63 -15.06 63.12 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 113.451 -1.704 . . . . 0.69999999999999996 107.77 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 10.3 t70 -85.05 -28.59 25.57 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.848 -1.541 . . . . 1.45 107.239 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.12 -48.39 81.84 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 116.22 -2.192 . . . . 2.02 108.584 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.585 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 4.2 pp -67.03 -9.36 38.27 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.472 -1.691 . . . . 1.52 109.832 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -94.5 -77.57 0.46 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.25 -0.887 . . . . 1.3999999999999999 109.094 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -68.74 -55.03 12.64 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 115.748 1.759 . . . . 2.29 115.748 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 m -50.18 -45.91 53.87 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.179 -1.408 . . . . 2.1099999999999999 108.839 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' A' ' 48' ' ' LEU . 99.7 m -65.24 -48.63 72.62 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 117.876 -1.529 . . . . 2.4100000000000001 107.959 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 tp -48.81 -21.61 0.66 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.743 -0.783 . . . . 1.5800000000000001 111.787 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 104.859 -2.275 . . . . 2.0 104.859 178.13 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' B' ' 56' ' ' PHE . 8.7 pt-20 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 121.939 0.876 . . . . 2.5299999999999998 110.287 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -63.29 -38.25 90.41 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.4 -1.333 . . . . 3.7799999999999998 107.4 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -63.51 -33.33 75.33 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.963 -1.017 . . . . 1.8200000000000001 108.375 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.6 93.33 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 105.601 -2.0 . . . . 0.87 105.601 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.18 -28.7 68.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.47 -2.092 . . . . 2.3700000000000001 109.403 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.38 -31.66 71.56 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 117.253 -1.779 . . . . 2.1499999999999999 107.184 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 52.8 tpp -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.222 -1.77 . . . . 2.4199999999999999 106.222 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.07 -34.14 71.61 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.37 -1.332 . . . . 0.67000000000000004 109.584 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.426 ' NH1' ' CD2' ' B' ' 49' ' ' TYR . 0.3 OUTLIER -64.43 -39.92 94.75 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.112 -1.435 . . . . 3.1499999999999999 107.504 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -65.67 -42.24 91.54 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.963 -1.495 . . . . 2.71 109.761 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.44 -24.86 36.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 106.554 -1.647 . . . . 0.93000000000000005 106.554 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CD2' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -73.78 -41.48 62.36 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.908 -1.515 . . . . 2.6800000000000002 106.908 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -60.22 -40.56 90.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.638 -1.986 . . . . 0.71999999999999997 105.638 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.67 -44.83 73.68 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 118.436 -1.306 . . . . 1.8 108.499 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -55.12 -52.33 63.59 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 124.387 1.055 . . . . 0.56000000000000005 108.358 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.5 -0.88 . . . . 1.3100000000000001 110.584 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -63.47 -31.47 72.64 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.206 -1.398 . . . . 1.02 108.915 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.25 -37.64 63.72 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 115.6 -2.44 . . . . 1.71 106.793 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 tp -47.92 -51.24 24.15 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.746 -1.205 . . . . 1.0800000000000001 107.746 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -49.97 -67.92 0.22 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 112.938 -1.937 . . . . 1.8400000000000001 110.411 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 1.3 mptp? -63.45 -19.04 64.38 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.312 -1.355 . . . . 1.8600000000000001 113.941 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.94 -29.28 43.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 104.975 -2.231 . . . . 1.22 104.975 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.96 -40.59 78.81 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.653 -1.98 . . . . 1.7 105.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -67.05 -28.39 68.16 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.957 -1.02 . . . . 2.6099999999999999 109.262 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.08 14.77 11.53 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.264 -0.974 . . . . 1.79 109.317 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.23 18.97 0.66 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 123.952 0.782 . . . . 2.4500000000000002 111.856 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 85.29 7.06 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 104.486 -2.413 . . . . 0.89000000000000001 104.486 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' B' ' 33' ' ' GLU . 9.0 p-10 -69.09 -43.91 73.57 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 124.179 0.925 . . . . 2.8300000000000001 111.355 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 27.2 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.163 -1.415 . . . . 2.1499999999999999 107.374 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.62 -34.04 68.87 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 117.581 -1.648 . . . . 2.2599999999999998 109.076 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -58.1 6.75 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.912 -1.515 . . . . 0.65000000000000002 112.37 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.71 -58.36 8.89 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.79 -1.564 . . . . 1.6699999999999999 111.381 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 mt -53.03 -33.39 19.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.346 -1.342 . . . . 1.1200000000000001 110.074 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.62 -50.08 75.26 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.636 -2.026 . . . . 0.69999999999999996 106.72 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' B' ' 42' ' ' HIS . 46.1 mm-40 -74.71 -13.93 60.67 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 116.63 -2.028 . . . . 2.8199999999999998 112.009 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.9 m -70.37 -32.11 69.65 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 102.089 -3.3 . . . . 0.77000000000000002 102.089 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -34.82 64.7 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 105.059 -2.201 . . . . 1.22 105.059 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.559 ' CD2' ' HG3' ' B' ' 16' ' ' ARG . 3.4 t-160 -53.21 -57.74 9.46 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.015 -1.074 . . . . 1.21 109.616 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.52 -53.86 51.11 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.246 -1.382 . . . . 1.8600000000000001 114.281 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -61.56 -35.73 78.61 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.107 -1.837 . . . . 2.2400000000000002 110.774 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' B' ' 16' ' ' ARG . . . -70.67 -19.06 62.82 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.226 -1.39 . . . . 0.69999999999999996 107.581 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -90.27 -20.39 23.01 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.452 -1.684 . . . . 1.45 106.452 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.87 -48.75 77.65 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 104.508 -2.404 . . . . 2.02 104.508 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -52.06 -26.72 11.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 125.448 1.717 . . . . 1.52 108.665 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.426 ' CD2' ' NH1' ' B' ' 13' ' ' ARG . 90.5 t80 -85.59 -77.66 0.29 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.267 -1.373 . . . . 1.3999999999999999 109.963 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -31.38 -90.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 121.018 3.711 . . . . 2.29 121.018 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -51.03 -41.83 60.06 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.003 0.906 . . . . 2.1099999999999999 110.928 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 63.4 m -69.38 -29.61 67.41 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 117.08 -1.848 . . . . 2.4100000000000001 110.223 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.72 -30.73 71.44 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 115.772 -2.371 . . . . 1.5800000000000001 106.519 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.89 -45.95 1.92 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 125.91 2.006 . . . . 2.0 111.296 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -118.59 -58.08 2.0 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 123.287 1.517 . . . . 3.6499999999999999 108.156 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' B' ' 5' ' ' GLU . 91.6 t80 . . . . . 0 C--N 1.291 -1.963 1 N-CA-C 96.475 -5.38 . . . . 3.1099999999999999 96.475 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 108.02 -1.104 . . . . 2.5299999999999998 108.02 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.29 -33.2 72.01 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 117.125 -1.83 . . . . 3.7799999999999998 108.4 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 m -65.44 -35.6 81.4 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 106.029 -1.841 . . . . 1.8200000000000001 106.029 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.55 72.81 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 117.371 -1.732 . . . . 0.87 107.159 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.73 -23.61 66.13 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.154 -1.425 . . . . 2.3700000000000001 107.154 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 10' ' ' ASN . 1.2 m-80 -63.21 -30.2 71.39 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 117.552 -1.659 . . . . 2.1499999999999999 108.175 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.403 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 52.1 ttm -63.98 -45.85 87.23 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.041 -1.837 . . . . 2.4199999999999999 106.041 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.53 73.14 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.639 -1.164 . . . . 0.67000000000000004 108.498 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.58 -38.15 86.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.86 -1.136 . . . . 3.1499999999999999 107.974 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 13.2 m-85 -64.84 -36.66 85.05 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.265 -1.374 . . . . 2.71 109.958 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.37 -48.89 85.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 106.93 -1.507 . . . . 0.93000000000000005 106.93 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 46' ' ' ASP . 9.1 tmm_? -62.79 -37.55 87.15 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.944 -1.48 . . . . 2.6800000000000002 110.047 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -64.69 -33.57 76.26 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.493 -1.683 . . . . 0.71999999999999997 107.46 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -64.07 -35.15 79.79 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.151 -1.796 . . . . 1.8 106.151 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -59.2 -27.06 65.37 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.729 -1.588 . . . . 0.56000000000000005 109.05 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.76 -45.04 94.56 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.672 -1.973 . . . . 1.3100000000000001 105.672 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -58.89 -30.38 67.73 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.875 -1.057 . . . . 1.02 109.757 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.52 -34.24 73.98 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 117.09 -1.844 . . . . 1.71 107.735 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.07 97.79 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 117.643 -1.623 . . . . 1.0800000000000001 107.027 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -52.14 -68.1 0.2 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.964 1.415 . . . . 1.8400000000000001 110.114 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -54.44 -49.15 70.7 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.846 -1.525 . . . . 1.8600000000000001 113.189 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.01 -34.93 74.02 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 117.402 -1.719 . . . . 1.22 109.098 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 118.695 -1.202 . . . . 1.7 109.264 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -71.07 -25.0 62.44 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.545 -0.909 . . . . 2.6099999999999999 108.545 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mp -90.01 15.07 10.71 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.956 -1.02 . . . . 1.79 109.124 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t0 48.3 32.82 3.37 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.994 1.434 . . . . 2.4500000000000002 108.44 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 63.5 3.93 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 104.812 -2.292 . . . . 0.89000000000000001 104.812 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -44.05 -58.05 3.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 125.607 1.817 . . . . 2.8300000000000001 112.033 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 33' ' ' GLU . 1.5 pt-20 -52.9 -54.15 38.92 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.264 -1.374 . . . . 2.1499999999999999 111.658 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -66.1 -19.03 65.71 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 116.33 -2.148 . . . . 2.2599999999999998 110.081 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.06 65.72 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.638 -1.986 . . . . 0.65000000000000002 105.638 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.78 -51.79 67.57 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.456 1.122 . . . . 1.6699999999999999 109.456 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.7 mm -57.13 -33.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 113.701 -1.591 . . . . 1.1200000000000001 107.11 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.68 -32.05 69.16 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 117.759 -1.576 . . . . 0.69999999999999996 109.374 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.66 -58.77 4.92 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.06 -1.83 . . . . 2.8199999999999998 106.06 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -53.39 -32.92 51.74 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 113.687 -1.597 . . . . 0.77000000000000002 110.829 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.67 -36.76 62.8 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.227 -0.989 . . . . 1.22 108.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.51 -47.63 84.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.238 -1.801 . . . . 1.21 107.846 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.79 -55.17 28.87 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.828 -1.078 . . . . 1.8600000000000001 110.158 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -53.07 -41.46 64.9 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 114.312 -1.313 . . . . 2.2400000000000002 111.457 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.425 -1.31 . . . . 0.69999999999999996 108.057 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 29.4 t0 -79.82 -22.78 42.62 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.192 -1.403 . . . . 1.45 107.771 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -69.25 -31.14 69.48 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 116.931 -1.908 . . . . 2.02 107.95 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.53 -31.86 68.33 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.046 -1.835 . . . . 1.52 106.046 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' HD22 ' A' ' 53' ' ' LEU . 91.3 t80 -85.63 -94.39 0.08 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 103.311 -2.848 . . . . 1.3999999999999999 103.311 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HE ' ' HB2' ' A' ' 50' ' ' ARG . 17.9 ttm180 -2.7 -100.38 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 1 N-CA-C 122.57 4.285 . . . . 2.29 122.57 179.583 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -53.43 -33.24 53.28 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.447 -1.301 . . . . 2.1099999999999999 110.706 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.7 m -74.92 -33.15 61.95 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 116.188 -2.205 . . . . 2.4100000000000001 107.613 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD22 ' CZ ' ' A' ' 49' ' ' TYR . 53.5 tp -54.28 -32.96 57.61 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.001 -1.481 . . . . 1.5800000000000001 107.001 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.488 0 O-C-N 126.595 2.434 . . . . 2.0 110.994 179.88 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 56' ' ' PHE . 4.6 mp0 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 107.583 -1.266 . . . . 2.5299999999999998 107.583 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.47 -29.76 69.95 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 116.627 -2.029 . . . . 3.7799999999999998 107.963 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -69.83 -30.69 68.25 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.97 -1.863 . . . . 1.8200000000000001 105.97 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.53 78.46 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 103.885 -2.635 . . . . 0.87 103.885 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.91 -28.84 65.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.599 -1.63 . . . . 2.3700000000000001 106.599 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.18 -22.06 65.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.687 -1.605 . . . . 2.1499999999999999 108.929 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.99 -38.97 83.31 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 105.599 -2.001 . . . . 2.4199999999999999 105.599 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.59 74.25 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.499 -1.667 . . . . 0.67000000000000004 106.499 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -64.42 -40.63 96.15 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.124 -1.831 . . . . 3.1499999999999999 106.59 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -60.84 -38.01 84.04 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.454 -1.699 . . . . 2.71 108.855 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.59 -45.5 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 106.252 -1.758 . . . . 0.93000000000000005 106.252 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.604 HH21 ' CD2' ' B' ' 42' ' ' HIS . 22.3 ttt180 -58.85 -39.57 81.7 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.164 -1.415 . . . . 2.6800000000000002 109.172 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.8 m -60.94 -44.97 96.49 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.01 -1.076 . . . . 0.71999999999999997 110.637 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.27 -42.92 99.17 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 117.335 -1.746 . . . . 1.8 107.504 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 45.3 m -56.35 -32.36 64.63 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.783 -1.099 . . . . 0.56000000000000005 109.327 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.39 -46.03 81.66 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 117.627 -1.629 . . . . 1.3100000000000001 107.323 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -54.28 -43.16 70.78 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.455 -1.248 . . . . 1.02 108.696 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.86 -28.45 62.53 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.175 -1.41 . . . . 1.71 109.813 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.65 -54.07 49.74 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.193 -1.41 . . . . 1.0800000000000001 107.193 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.77 -58.49 7.27 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 112.978 -1.919 . . . . 1.8400000000000001 111.303 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -58.59 -36.35 73.86 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 117.149 -1.82 . . . . 1.8600000000000001 113.144 -178.176 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.49 -34.82 79.16 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 116.637 -2.025 . . . . 1.22 105.837 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.02 -39.92 91.61 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.562 -1.199 . . . . 1.7 108.329 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -66.08 -26.78 67.64 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 118.886 -1.126 . . . . 2.6099999999999999 109.504 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.98 22.48 3.18 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.762 -1.175 . . . . 1.79 108.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 52.08 21.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.82 1.325 . . . . 2.4500000000000002 108.576 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.12 57.53 1.27 Allowed 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.109 -1.811 . . . . 0.89000000000000001 106.109 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.24 -22.7 65.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.093 -1.412 . . . . 2.8300000000000001 111.918 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -30.13 61.51 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 116.338 -2.145 . . . . 2.1499999999999999 106.903 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -76.63 -28.47 56.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 103.767 -2.679 . . . . 2.2599999999999998 103.767 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.96 71.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.898 -1.889 . . . . 0.65000000000000002 105.898 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.53 -58.5 7.35 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.768 -1.173 . . . . 1.6699999999999999 109.543 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.95 -33.33 49.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 CA-C-N 114.061 -1.427 . . . . 1.1200000000000001 107.777 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.84 -26.23 63.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.576 -1.25 . . . . 0.69999999999999996 109.744 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.61 -49.89 17.16 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 103.128 -2.915 . . . . 2.8199999999999998 103.128 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -52.24 -31.54 32.77 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.742 -1.117 . . . . 0.77000000000000002 108.704 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.82 -43.97 43.39 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.373 -2.084 . . . . 1.22 105.373 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.604 ' CD2' HH21 ' B' ' 16' ' ' ARG . 51.4 t60 -48.67 -54.44 14.74 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.761 -1.563 . . . . 1.21 109.816 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.69 -19.7 22.37 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 116.291 -2.163 . . . . 1.8600000000000001 113.264 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -48.16 79.05 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.365 -2.134 . . . . 2.2400000000000002 105.547 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.29 71.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.504 -1.665 . . . . 0.69999999999999996 106.504 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 29.5 t70 -70.77 -28.22 64.52 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 117.334 -1.747 . . . . 1.45 110.438 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -64.82 -41.78 95.5 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 103.991 -2.596 . . . . 2.02 103.991 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.38 -24.73 67.3 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.14 -1.391 . . . . 1.52 107.446 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.445 ' CZ ' HD22 ' B' ' 53' ' ' LEU . 54.0 t80 -91.09 -92.25 0.14 Allowed 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.446 -1.302 . . . . 1.3999999999999999 107.779 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -27.94 -75.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 117.002 2.223 . . . . 2.29 117.002 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -47.29 -55.66 8.29 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.455 1.121 . . . . 2.1099999999999999 110.043 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 96.5 m -65.42 -27.79 68.79 Favored 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 119.06 -1.056 . . . . 2.4100000000000001 110.145 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' B' ' 49' ' ' TYR . 18.6 tp -61.75 -27.65 68.88 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 107.153 -1.425 . . . . 1.5800000000000001 107.153 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.94 -68.74 0.16 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 126.331 2.269 . . . . 2.0 110.474 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.538 ' CZ ' ' HB2' ' B' ' 55' ' ' ARG . 13.5 ttm105 -93.4 -56.71 2.83 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.067 -1.878 . . . . 3.6499999999999999 107.195 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 5' ' ' GLU . 35.2 t80 . . . . . 0 C--N 1.292 -1.931 0 CA-C-N 109.115 -3.675 . . . . 3.1099999999999999 101.638 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.8 mpp? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.787 -0.149 . . . . 5.3700000000000001 110.962 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.495 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 31.2 m 66.08 11.97 8.16 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.66 0.743 . . . . 4.0199999999999996 109.689 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -89.98 -104.84 0.09 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.966 -1.016 . . . . 4.9500000000000002 110.445 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.548 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 2.3 pm0 -60.15 -28.64 68.08 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.457 0.646 . . . . 4.0899999999999999 110.84 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 1.2 pm0 -57.45 -40.47 78.51 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 114.246 -1.343 . . . . 2.5299999999999998 107.966 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HD2' ' HA ' ' A' ' 2' ' ' THR . 0.0 OUTLIER -76.54 -27.39 55.93 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.824 -1.551 . . . . 3.7799999999999998 108.565 -179.557 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.9 m -61.82 -48.16 81.85 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 117.12 -1.832 . . . . 1.8200000000000001 108.17 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.0 99.4 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 118.049 -1.461 . . . . 0.87 108.01 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.834 -1.53 . . . . 2.3700000000000001 108.761 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -78.07 -33.05 51.01 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.097 -1.041 . . . . 2.1499999999999999 108.529 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.2 mmm -65.42 -49.6 68.6 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.706 -1.598 . . . . 2.4199999999999999 109.535 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.02 97.8 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 117.754 -1.579 . . . . 0.67000000000000004 109.097 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 31.2 ttp180 -64.52 -32.67 74.41 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.455 -1.298 . . . . 3.1499999999999999 108.765 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.37 -43.44 70.13 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 118.796 -1.161 . . . . 2.71 110.391 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.4 mt -60.72 -36.76 73.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 C-N-CA 117.406 -1.718 . . . . 0.93000000000000005 108.335 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.89 -45.18 90.88 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 116.909 -1.916 . . . . 2.6800000000000002 106.597 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -59.17 -43.31 92.11 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 118.725 -1.19 . . . . 0.71999999999999997 110.327 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -61.15 -39.52 90.4 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 117.457 -1.697 . . . . 1.8 108.327 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -65.34 -30.71 71.58 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.636 -1.226 . . . . 0.56000000000000005 109.313 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.1 -58.05 5.1 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.986 -2.227 . . . . 1.3100000000000001 104.986 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.3 m -59.38 -20.9 58.44 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.849 -1.14 . . . . 1.02 109.956 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -73.61 -44.71 56.38 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.372 -2.085 . . . . 1.71 105.372 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.7 -49.81 46.3 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.965 -1.865 . . . . 1.0800000000000001 105.965 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.4 -65.52 0.54 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.402 -1.272 . . . . 1.8400000000000001 112.175 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HZ2' ' HG2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -53.67 -35.01 60.6 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.19 -1.368 . . . . 1.8600000000000001 111.824 -177.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.48 -39.74 85.24 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.812 -1.555 . . . . 1.22 107.765 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.493 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -65.19 -28.52 69.44 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.344 -1.743 . . . . 1.7 108.704 -179.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -63.55 -40.55 97.3 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 117.775 -1.57 . . . . 2.6099999999999999 107.53 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.01 32.98 0.88 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 114.721 -1.127 . . . . 1.79 111.5 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 38.85 37.96 0.24 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 124.941 1.401 . . . . 2.4500000000000002 110.461 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.2 63.81 5.1 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.047 -1.094 . . . . 0.89000000000000001 108.047 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.4 p-10 -50.5 -44.9 56.15 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 125.654 1.846 . . . . 2.8300000000000001 107.749 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 8.2 tt0 -52.77 -68.46 0.17 Allowed 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 112.027 -2.351 . . . . 2.1499999999999999 109.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' B' ' 52' ' ' CYS . 55.7 mt-30 -58.11 -23.22 54.14 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 113.07 -1.877 . . . . 2.2599999999999998 109.693 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.22 70.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.738 -1.585 . . . . 0.65000000000000002 108.21 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.25 -54.63 43.53 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.086 -1.846 . . . . 1.6699999999999999 108.828 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -54.24 -33.62 25.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 112.335 -2.211 . . . . 1.1200000000000001 108.536 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 t -69.41 -38.19 77.81 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.337 -1.345 . . . . 0.69999999999999996 110.163 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.13 -35.33 76.27 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 117.247 -1.781 . . . . 2.8199999999999998 107.867 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -64.65 -32.68 74.45 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 117.444 -1.703 . . . . 0.77000000000000002 106.698 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.47 -32.9 64.58 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.623 -1.251 . . . . 1.22 107.623 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -60.75 -49.64 76.7 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.777 -1.556 . . . . 1.21 107.349 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.8 -51.02 69.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.659 -1.216 . . . . 1.8600000000000001 109.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -22.69 66.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 117.99 -1.484 . . . . 2.2400000000000002 110.981 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.22 -33.5 69.94 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 102.591 -3.114 . . . . 0.69999999999999996 102.591 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HB3' HH21 ' A' ' 50' ' ' ARG . 23.8 t0 -75.91 -33.18 59.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.28 -1.768 . . . . 1.45 106.985 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' N ' HH21 ' A' ' 50' ' ' ARG . 69.1 mm-40 -54.83 -38.53 67.53 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 117.488 -1.685 . . . . 2.02 106.743 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -48.36 66.0 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 117.064 -1.855 . . . . 1.52 107.604 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 85.7 t80 -58.01 -61.41 2.56 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.579 1.326 . . . . 1.3999999999999999 114.579 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.425 HH21 ' N ' ' A' ' 47' ' ' GLU . 6.3 ptp180 -51.35 -39.94 58.1 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.966 -0.753 . . . . 2.29 108.966 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.6 m -69.96 -31.93 69.91 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.667 -1.613 . . . . 2.1099999999999999 108.794 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 70.9 m -68.71 -22.7 64.33 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.368 -2.086 . . . . 2.4100000000000001 105.368 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.4 -23.57 27.89 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 105.454 -2.054 . . . . 1.5800000000000001 105.454 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.24 88.82 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 117.237 -1.785 . . . . 2.0 107.231 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' CZ ' ' O ' ' B' ' 30' ' ' ASP . 24.8 ttm-85 -89.71 -59.22 2.26 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.748 -1.181 . . . . 3.6499999999999999 110.005 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 58' ' ' ASP . 41.8 m-85 -82.75 29.24 0.46 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.159 -0.928 . . . . 3.1099999999999999 111.077 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.9 25.96 1.46 Allowed Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.289 -1.434 . . . . 4.8499999999999996 111.951 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 56' ' ' PHE . 5.6 p-10 -86.19 21.12 2.11 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.701 -1.222 . . . . 7.1900000000000004 107.701 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.19 91.15 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.308 -0.997 . . . . 8.6199999999999992 108.308 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.25 -20.45 0.04 OUTLIER Glycine 0 C--N 1.297 -1.62 0 C-N-CA 117.209 -2.424 . . . . 9.7400000000000002 109.684 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.63 -26.14 67.68 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 117.464 -1.695 . . . . 10.960000000000001 106.547 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.465 HD22 ' C ' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -83.32 121.89 27.73 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.974 -2.232 . . . . 12.6 104.974 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 C--N 1.299 -1.608 0 N-CA-C 102.271 -3.233 . . . . 12.960000000000001 102.271 179.492 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mmt . . . . . 0 C--O 1.214 -0.8 0 N-CA-C 106.337 -1.727 . . . . 5.3700000000000001 106.337 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.1 m -56.32 144.85 28.87 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.678 -1.601 . . . . 4.0199999999999996 106.678 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -18.86 37.77 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.926 -1.51 . . . . 4.9500000000000002 111.706 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -70.61 -40.72 73.0 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 116.966 -1.894 . . . . 4.0899999999999999 106.776 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.6 -45.72 91.09 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.801 -1.926 . . . . 2.5299999999999998 105.801 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.452 ' HB2' ' HZ3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER -59.27 -39.28 82.39 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.009 -1.45 . . . . 3.7799999999999998 110.944 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.8 m -69.08 -40.98 78.13 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 117.314 -1.754 . . . . 1.8200000000000001 109.112 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.405 ' HA ' ' HE3' ' B' ' 11' ' ' MET . . . -60.43 -50.79 72.18 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 118.989 -1.084 . . . . 0.87 109.107 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.48 -48.44 71.8 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 112.765 -2.016 . . . . 2.3700000000000001 108.335 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -62.66 -32.81 73.93 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 113.864 -1.517 . . . . 2.1499999999999999 112.853 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . 0.405 ' HE3' ' HA ' ' B' ' 8' ' ' ALA . 77.5 mtm -72.1 -34.15 68.4 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 116.23 -2.188 . . . . 2.4199999999999999 108.496 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.46 48.59 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 117.426 -1.71 . . . . 0.67000000000000004 106.954 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.418 HH12 ' CD ' ' B' ' 61' ' ' GLU . 36.6 ttm180 -57.92 -30.99 66.38 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 112.877 -1.965 . . . . 3.1499999999999999 108.022 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -66.65 -53.01 38.57 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 118.105 -1.438 . . . . 2.71 109.951 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.77 -32.38 46.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 118.441 -1.303 . . . . 0.93000000000000005 109.699 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.588 HH21 ' CD2' ' B' ' 42' ' ' HIS . 57.1 ttt85 -60.96 -59.31 5.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 116.285 -2.166 . . . . 2.6800000000000002 108.854 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.4 m -59.17 -40.97 87.31 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.147 -0.933 . . . . 0.71999999999999997 111.948 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -55.29 -57.79 10.38 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.93 -1.137 . . . . 1.8 107.93 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -58.7 -28.27 65.63 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.067 -1.424 . . . . 0.56000000000000005 110.376 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.46 -55.34 28.57 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.021 -2.214 . . . . 1.3100000000000001 105.021 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.8 m -57.6 -25.19 59.7 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.18 -1.373 . . . . 1.02 110.192 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' B' ' 26' ' ' LEU . 87.8 mt -80.9 -30.23 35.46 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 116.366 -2.134 . . . . 1.71 108.763 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.424 HD23 ' C ' ' B' ' 23' ' ' LEU . 7.9 tt -62.11 -57.38 11.79 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.344 -1.743 . . . . 1.0800000000000001 107.235 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.16 -61.1 2.89 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 117.828 -1.549 . . . . 1.8400000000000001 112.51 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' B' ' 24' ' ' GLU . 13.0 mmtm -56.02 -37.03 68.63 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.853 -1.139 . . . . 1.8600000000000001 114.069 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 22' ' ' LEU . 9.9 mp -73.03 -29.83 63.3 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 116.011 -2.276 . . . . 1.22 107.676 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.32 -46.07 90.37 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 105.787 -1.931 . . . . 1.7 105.787 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.419 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 45.5 mt-10 -66.22 -27.78 68.24 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 113.197 -1.819 . . . . 2.6099999999999999 110.026 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 25.5 tp -89.91 20.02 4.46 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.293 -1.373 . . . . 1.79 107.293 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.406 ' O ' ' CZ ' ' A' ' 55' ' ' ARG . 18.9 t0 51.64 74.57 0.25 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.683 -1.228 . . . . 2.4500000000000002 107.683 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.28 51.66 0.25 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 101.934 -3.358 . . . . 0.89000000000000001 101.934 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.25 -35.14 74.81 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 112.821 -1.991 . . . . 2.8300000000000001 110.87 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.9 mp0 -58.02 -45.26 87.19 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.47 -1.678 . . . . 2.1499999999999999 106.47 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.425 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mp0 -65.22 -32.65 74.43 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.463 -2.095 . . . . 2.2599999999999998 108.21 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.44 96.42 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.447 -1.301 . . . . 0.65000000000000002 109.265 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -57.2 -57.82 10.94 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.544 1.164 . . . . 1.6699999999999999 109.131 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.16 -30.28 45.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 113.26 -1.791 . . . . 1.1200000000000001 109.275 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 87.8 m -67.37 -28.45 67.95 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 117.665 -1.614 . . . . 0.69999999999999996 108.191 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 24.2 tt0 -72.01 -40.9 68.15 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.901 -1.52 . . . . 2.8199999999999998 108.014 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -36.15 77.0 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 116.446 -2.102 . . . . 0.77000000000000002 108.879 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.71 -33.43 72.49 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.957 -1.474 . . . . 1.22 108.039 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.588 ' CD2' HH21 ' B' ' 16' ' ' ARG . 72.4 t60 -53.23 -59.0 5.13 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.102 -1.863 . . . . 1.21 109.355 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.407 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 28.7 t70 -80.7 -23.42 39.54 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 116.128 -2.229 . . . . 1.8600000000000001 112.083 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.77 -30.94 71.28 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 116.237 -2.185 . . . . 2.2400000000000002 105.849 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.51 81.22 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 104.962 -2.236 . . . . 0.69999999999999996 104.962 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 37.2 t70 -65.41 -23.22 66.9 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.176 -1.829 . . . . 1.45 108.706 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -58.3 -34.0 70.08 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 117.364 -1.734 . . . . 2.02 108.301 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.492 ' N ' HD22 ' B' ' 48' ' ' LEU . 3.6 mm? -69.85 -36.12 75.29 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.052 -1.859 . . . . 1.52 107.347 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -51.63 66.92 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 106.63 -1.619 . . . . 1.3999999999999999 106.63 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -53.79 -57.32 11.33 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.293 -0.563 . . . . 2.29 110.494 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -59.28 -31.72 69.37 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.434 -0.907 . . . . 2.1099999999999999 111.04 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.407 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 96.5 m -74.74 -28.9 60.96 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.711 -1.596 . . . . 2.4100000000000001 108.108 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 tp -75.6 -23.19 56.43 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 105.371 -2.085 . . . . 1.5800000000000001 105.371 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.84 -62.82 1.57 Allowed 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.705 -1.598 . . . . 2.0 109.713 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 34' ' ' GLN . 7.6 tpp85 -58.42 -42.19 86.7 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.587 -1.188 . . . . 3.6499999999999999 111.39 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -97.73 -48.78 5.08 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.493 -1.283 . . . . 3.1099999999999999 113.073 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.89 27.08 73.72 Favored Glycine 0 N--CA 1.483 1.787 0 N-CA-C 104.584 -3.406 . . . . 4.8499999999999996 104.584 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -106.11 126.68 52.5 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 106.928 -1.508 . . . . 7.1900000000000004 106.928 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -149.87 -176.35 5.39 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 100.415 -3.92 . . . . 8.6199999999999992 100.415 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.66 72.14 0.32 Allowed Glycine 0 N--CA 1.483 1.771 0 N-CA-C 105.243 -3.143 . . . . 9.7400000000000002 105.243 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.418 ' CD ' HH12 ' B' ' 13' ' ' ARG . 19.7 mm-40 -84.01 89.26 7.22 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.648 -1.242 . . . . 10.960000000000001 107.648 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -155.15 173.38 16.68 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 105.523 -2.028 . . . . 12.6 105.523 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.427 HD22 ' N ' ' B' ' 63' ' ' LEU . 2.7 mm? . . . . . 0 C--N 1.3 -1.555 0 N-CA-C 100.498 -3.89 . . . . 12.960000000000001 100.498 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.43 ' H3 ' ' CD ' ' A' ' 5' ' ' GLU . 61.3 mtm . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 105.331 -2.1 . . . . 5.3700000000000001 105.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 157.95 20.64 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 104.199 -2.519 . . . . 4.0199999999999996 104.199 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.542 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 2.3 mptp? -89.97 -20.16 23.63 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 105.178 -2.156 . . . . 4.9500000000000002 105.178 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -64.93 -15.85 62.61 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 113.932 -1.485 . . . . 4.0899999999999999 108.52 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 82.0 mt-10 -60.24 -39.39 86.55 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.8 -1.556 . . . . 2.5299999999999998 106.8 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HZ3' ' HG3' ' A' ' 6' ' ' LYS . 14.9 mtmm -69.7 -20.54 63.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.987 -1.085 . . . . 3.7799999999999998 109.98 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.7 m -72.57 -46.86 52.29 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 104.268 -2.493 . . . . 1.8200000000000001 104.268 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.07 79.17 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 119.308 -0.957 . . . . 0.87 109.091 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -58.13 -51.1 71.13 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.111 -1.811 . . . . 2.3700000000000001 106.111 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -61.16 -35.49 77.24 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 113.683 -1.599 . . . . 2.1499999999999999 111.552 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 33.8 mtm -63.77 -42.02 97.86 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 117.316 -1.754 . . . . 2.4199999999999999 109.261 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.41 88.46 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.282 -1.367 . . . . 0.67000000000000004 108.879 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.619 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -63.95 -38.99 93.11 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.314 -1.755 . . . . 3.1499999999999999 108.901 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.59 -32.74 74.3 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.901 -1.919 . . . . 2.71 109.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -61.38 -43.62 97.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 105.492 -2.04 . . . . 0.93000000000000005 105.492 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 19.6 ttt180 -60.54 -40.83 92.95 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 117.673 -1.611 . . . . 2.6800000000000002 109.352 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 m -59.28 -48.95 79.72 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.083 -1.047 . . . . 0.71999999999999997 110.438 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.96 -44.43 94.43 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.954 -1.098 . . . . 1.8 108.742 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -58.26 -29.48 65.83 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.449 -1.301 . . . . 0.56000000000000005 109.804 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.35 -46.56 82.9 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.043 -2.206 . . . . 1.3100000000000001 105.043 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -59.15 -37.1 76.49 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.142 -1.423 . . . . 1.02 108.703 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.88 -28.31 65.54 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 117.292 -1.763 . . . . 1.71 109.092 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.17 -48.28 82.21 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.688 -2.338 . . . . 1.0800000000000001 104.688 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -65.1 0.74 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 112.994 -1.912 . . . . 1.8400000000000001 111.111 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' N ' ' HZ2' ' A' ' 25' ' ' LYS . 7.0 mmtm -48.5 -48.8 37.86 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.093 -0.958 . . . . 1.8600000000000001 112.978 -177.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -60.11 -37.95 81.54 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 117.311 -1.755 . . . . 1.22 107.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -62.02 -40.87 97.19 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.025 -1.07 . . . . 1.7 109.4 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 30' ' ' ASP . 94.4 mt-10 -61.52 -36.55 80.85 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.859 0.838 . . . . 2.6099999999999999 108.9 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' ALA . 21.5 mt -87.91 31.46 0.78 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.87 -1.514 . . . . 1.79 107.627 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 28' ' ' GLU . 4.0 p-10 41.56 14.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 126.514 2.384 . . . . 2.4500000000000002 112.129 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' LEU . . . -88.54 56.23 3.7 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 104.284 -2.487 . . . . 0.89000000000000001 104.284 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.83 -31.83 71.94 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.752 -1.179 . . . . 2.8300000000000001 110.386 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 115.5 -2.48 . . . . 2.1499999999999999 105.78 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.455 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 98.8 mm-40 -72.95 -29.01 62.76 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 116.552 -2.059 . . . . 2.2599999999999998 105.638 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.79 -31.5 71.42 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.108 -1.812 . . . . 0.65000000000000002 106.108 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.82 -50.63 71.52 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.884 -1.526 . . . . 1.6699999999999999 107.41 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.88 -33.23 45.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 113.82 -1.536 . . . . 1.1200000000000001 107.03 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.9 t -73.23 -27.16 61.45 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 118.457 -1.297 . . . . 0.69999999999999996 110.598 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -76.02 -40.67 53.03 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.589 -2.375 . . . . 2.8199999999999998 104.589 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.8 m -59.28 -32.72 70.28 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.571 -2.011 . . . . 0.77000000000000002 105.571 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -73.82 -35.34 64.85 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.922 -1.51 . . . . 1.22 106.922 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 36.8 t60 -57.44 -58.87 6.39 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.009 -1.45 . . . . 1.21 110.145 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.41 -25.16 39.17 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 116.412 -2.115 . . . . 1.8600000000000001 112.18 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.86 -35.28 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 104.754 -2.313 . . . . 2.2400000000000002 104.754 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.1 80.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.347 -2.094 . . . . 0.69999999999999996 105.347 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 7.0 t70 -69.41 -22.06 63.72 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.02 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CD ' ' NH2' ' A' ' 50' ' ' ARG . 18.4 mm-40 -63.62 -42.43 98.18 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 105.05 -2.204 . . . . 2.02 105.05 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.84 -40.97 90.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 105.745 -1.946 . . . . 1.52 105.745 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.619 ' CE1' ' HB2' ' A' ' 13' ' ' ARG . 30.4 t80 -61.08 -40.18 92.71 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.468 -0.893 . . . . 1.3999999999999999 110.993 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' NH2' ' CD ' ' A' ' 47' ' ' GLU . 43.4 mtm-85 -68.08 -61.32 1.91 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.706 -0.797 . . . . 2.29 110.135 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 m -54.28 -33.44 58.65 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 114.621 -1.172 . . . . 2.1099999999999999 109.753 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.1 m -66.29 -49.52 66.8 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 117.202 -1.799 . . . . 2.4100000000000001 107.911 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.11 -40.88 33.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 118.905 -1.118 . . . . 1.5800000000000001 110.401 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.11 -61.04 2.29 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.824 -1.15 . . . . 2.0 110.687 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -79.25 -58.76 3.06 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 117.581 -1.648 . . . . 3.6499999999999999 110.785 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' GLY . 8.2 m-30 -50.59 -8.29 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 116.066 1.876 . . . . 3.1099999999999999 116.066 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' PHE . . . -48.14 -42.33 23.96 Favored Glycine 0 N--CA 1.492 2.414 1 N-CA-C 102.6 -4.2 . . . . 4.8499999999999996 102.6 177.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 154.5 75.83 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.638 1 N-CA-C 98.435 -4.654 . . . . 7.1900000000000004 98.435 177.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -36.96 139.55 0.2 Allowed 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 112.027 -2.351 . . . . 8.6199999999999992 114.349 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -163.84 -54.92 0.02 OUTLIER Glycine 0 C--N 1.293 -1.828 1 N-CA-C 99.319 -5.512 . . . . 9.7400000000000002 99.319 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -85.3 73.99 10.48 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 101.669 -3.456 . . . . 10.960000000000001 101.669 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.13 109.28 1.79 Allowed 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 118.893 -1.123 . . . . 12.6 110.601 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.302 -1.468 0 CA-C-O 114.267 -2.778 . . . . 12.960000000000001 103.834 179.654 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.486 ' H1 ' ' C ' ' B' ' 58' ' ' ASP . 59.4 mtp . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 105.674 -1.973 . . . . 5.3700000000000001 105.674 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.2 m -75.83 168.63 19.67 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.258 -2.127 . . . . 4.0199999999999996 105.258 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -90.05 -37.37 14.32 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 105.944 -1.873 . . . . 4.9500000000000002 105.944 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.53 -44.22 8.55 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 126.155 2.16 . . . . 4.0899999999999999 110.111 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.9 -46.03 78.49 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 118.231 -1.388 . . . . 2.5299999999999998 110.923 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -74.42 -21.46 59.61 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.384 -1.726 . . . . 3.7799999999999998 107.497 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 m -66.53 -61.97 1.71 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 117.473 -1.691 . . . . 1.8200000000000001 106.892 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.89 -39.25 53.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.495 -0.775 . . . . 0.87 109.791 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' CE1' ' B' ' 49' ' ' TYR . 33.3 tp -57.84 -57.35 13.17 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.666 -1.214 . . . . 2.3700000000000001 108.811 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -61.77 -25.91 67.76 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.594 -1.243 . . . . 2.1499999999999999 110.666 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 89.3 mmm -71.11 -38.04 72.36 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.745 -1.582 . . . . 2.4199999999999999 108.942 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.7 87.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.586 -1.635 . . . . 0.67000000000000004 106.586 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -58.31 -41.42 84.46 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.584 -1.644 . . . . 3.1499999999999999 109.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -61.05 -48.68 80.65 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.236 -1.386 . . . . 2.71 110.163 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.9 mt -56.38 -37.69 52.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.926 -1.034 . . . . 0.93000000000000005 108.996 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' B' ' 46' ' ' ASP . 34.5 ttt180 -58.38 -51.07 71.38 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 116.861 -1.935 . . . . 2.6800000000000002 107.924 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -51.16 -44.12 61.4 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.989 -1.005 . . . . 0.71999999999999997 110.565 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.28 -50.09 74.84 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.284 -1.367 . . . . 1.8 109.208 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -54.49 -31.08 55.24 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 113.925 -1.488 . . . . 0.56000000000000005 110.182 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.37 -54.79 27.31 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.731 -1.952 . . . . 1.3100000000000001 105.731 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -50.1 -37.18 32.69 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.564 -1.653 . . . . 1.02 110.454 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.72 -41.28 60.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 116.817 -1.953 . . . . 1.71 109.892 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.44 -50.92 58.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.622 -1.621 . . . . 1.0800000000000001 106.622 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -53.48 -59.42 4.61 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.033 -1.894 . . . . 1.8400000000000001 107.719 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HE2' ' N ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER -59.81 -18.82 46.65 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 118.654 -1.219 . . . . 1.8600000000000001 112.552 -178.536 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.2 mt -78.4 -34.43 48.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.949 -1.871 . . . . 1.22 105.949 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -64.1 -41.06 97.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.056 -1.831 . . . . 1.7 106.056 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.442 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 93.0 mt-10 -63.2 -44.21 95.99 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.481 -1.236 . . . . 2.6099999999999999 109.91 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' ALA . 87.6 mt -89.97 42.44 1.09 Allowed 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.518 -0.873 . . . . 1.79 109.378 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 34.63 16.62 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 127.454 2.971 . . . . 2.4500000000000002 115.59 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.62 58.11 3.43 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 104.936 -2.246 . . . . 0.89000000000000001 104.936 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.96 -35.79 81.83 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 118.534 -1.266 . . . . 2.8300000000000001 110.701 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 0.5 OUTLIER -62.49 -33.91 75.8 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 116.214 -2.194 . . . . 2.1499999999999999 106.765 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -76.17 -23.4 54.74 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 116.698 -2.001 . . . . 2.2599999999999998 107.466 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.71 87.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 105.704 -1.961 . . . . 0.65000000000000002 105.704 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.85 -56.47 20.85 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.601 1.191 . . . . 1.6699999999999999 108.448 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.3 -30.52 21.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.995 -1.911 . . . . 1.1200000000000001 108.139 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.05 -36.69 69.67 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.195 -1.402 . . . . 0.69999999999999996 109.282 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 19.8 tp10 -65.58 -44.46 86.59 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 117.911 -1.516 . . . . 2.8199999999999998 107.511 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' B' ' 44' ' ' HIS . 16.6 m -51.54 -48.33 63.09 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 117.2 -1.8 . . . . 0.77000000000000002 107.66 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 tp -62.12 -37.29 84.56 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.511 -1.276 . . . . 1.22 109.121 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.52 ' CE1' ' HG2' ' B' ' 16' ' ' ARG . 46.4 t60 -55.78 -59.28 5.09 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.101 -1.409 . . . . 1.21 108.437 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.413 ' HA ' ' CZ ' ' B' ' 16' ' ' ARG . 20.4 t70 -72.03 -27.36 62.66 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 116.957 -1.897 . . . . 1.8600000000000001 112.271 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' B' ' 40' ' ' SER . 2.9 m-70 -61.62 -33.69 74.36 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.754 -1.978 . . . . 2.2400000000000002 107.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.51 79.32 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 117.482 -1.687 . . . . 0.69999999999999996 106.907 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.546 ' HB2' ' HD2' ' B' ' 16' ' ' ARG . 50.0 t0 -68.44 -29.34 67.97 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 114.553 -1.203 . . . . 1.45 107.929 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.28 -39.0 88.8 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 117.425 -1.71 . . . . 2.02 106.658 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.38 -39.05 91.78 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 116.856 -1.938 . . . . 1.52 105.987 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.45 ' CE1' ' HG ' ' B' ' 9' ' ' LEU . 27.3 t80 -61.05 -27.23 68.19 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 118.162 -1.415 . . . . 1.3999999999999999 108.992 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.414 HH11 ' CG ' ' B' ' 46' ' ' ASP . 20.6 mtm180 -91.16 -75.61 0.47 Allowed 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.488 -0.885 . . . . 2.29 110.233 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -50.07 -39.07 41.11 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.759 -0.776 . . . . 2.1099999999999999 112.994 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 34' ' ' GLN . 51.2 m -71.54 -32.21 67.89 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 115.689 -2.404 . . . . 2.4100000000000001 108.573 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -59.68 -34.91 73.48 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 117.13 -1.828 . . . . 1.5800000000000001 106.166 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.98 -43.19 83.64 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.119 -1.832 . . . . 2.0 107.959 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.475 HH12 ' C ' ' B' ' 63' ' ' LEU . 14.2 mmm180 -69.77 -9.42 54.5 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.137 -1.025 . . . . 3.6499999999999999 110.406 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -103.01 -60.97 1.47 Allowed 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 117.741 -1.584 . . . . 3.1099999999999999 112.033 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.84 -128.46 34.7 Favored Glycine 0 N--CA 1.479 1.559 1 N-CA-C 98.103 -5.999 . . . . 4.8499999999999996 98.103 -177.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.486 ' C ' ' H1 ' ' B' ' 1' ' ' MET . 7.2 t70 -136.02 47.53 2.23 Favored 'General case' 0 C--N 1.299 -1.626 1 N-CA-C 98.512 -4.625 . . . . 7.1900000000000004 98.512 177.767 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.71 -59.77 1.88 Allowed 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 102.539 -3.134 . . . . 8.6199999999999992 102.539 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.84 -77.93 2.06 Favored Glycine 0 C--N 1.301 -1.398 0 N-CA-C 103.854 -3.698 . . . . 9.7400000000000002 103.854 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -82.75 75.32 9.66 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 103.302 -2.851 . . . . 10.960000000000001 103.302 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.589 ' H ' HD22 ' B' ' 62' ' ' ASN . 0.1 OUTLIER -93.54 -135.32 0.17 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.203 -1.406 . . . . 12.6 107.203 -179.441 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.475 ' C ' HH12 ' B' ' 55' ' ' ARG . 3.7 pp . . . . . 0 C--N 1.302 -1.494 0 N-CA-C 104.866 -2.272 . . . . 12.960000000000001 104.866 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.454 ' H1 ' ' HB3' ' A' ' 59' ' ' ASP . 68.5 mmm . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 106.313 -1.736 . . . . 5.3700000000000001 106.313 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -52.85 154.98 2.54 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.085 -1.046 . . . . 4.0199999999999996 108.522 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -58.74 -35.92 73.5 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 105.41 -2.07 . . . . 4.9500000000000002 105.41 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -61.24 -49.89 75.26 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.136 -1.847 . . . . 4.0899999999999999 108.42 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 90.2 mt-10 -56.75 -41.02 76.83 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.25 -0.98 . . . . 2.5299999999999998 110.587 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -57.86 -43.34 85.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.371 -1.344 . . . . 3.7799999999999998 107.371 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -66.79 -41.01 88.31 Favored 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 117.827 -1.549 . . . . 1.8200000000000001 110.195 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.9 -31.87 73.31 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 118.708 -1.197 . . . . 0.87 108.444 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.544 ' HG ' ' CE2' ' A' ' 49' ' ' TYR . 30.2 tp -66.08 -39.85 90.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.959 -2.237 . . . . 2.3700000000000001 104.959 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -67.64 -35.3 78.65 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 118.327 -1.349 . . . . 2.1499999999999999 108.326 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.9 mmm -64.55 -39.06 93.06 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.053 -1.459 . . . . 2.4199999999999999 109.138 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.26 90.5 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.902 -1.519 . . . . 0.67000000000000004 107.669 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 18.2 tpp85 -65.65 -25.27 67.28 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 114.156 -1.384 . . . . 3.1499999999999999 107.608 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.8 -38.24 76.56 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.248 -1.781 . . . . 2.71 107.189 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.0 mm -61.92 -41.61 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 117.814 -1.554 . . . . 0.93000000000000005 106.852 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 28.3 ttm-85 -55.08 -50.7 68.5 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.2 -1.4 . . . . 2.6800000000000002 107.98 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -65.91 -27.82 68.47 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.311 -1.313 . . . . 0.71999999999999997 112.972 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.44 -49.44 59.9 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 102.787 -3.042 . . . . 1.8 102.787 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.416 HG22 ' SG ' ' A' ' 38' ' ' CYS . 31.4 m -56.06 -26.12 47.91 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 113.663 -1.608 . . . . 0.56000000000000005 109.636 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -73.7 -47.54 38.77 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 117.084 -1.846 . . . . 1.3100000000000001 107.198 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 m -56.07 -38.52 70.76 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.903 -1.147 . . . . 1.02 107.903 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -66.05 -48.26 71.63 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 118.306 -1.358 . . . . 1.71 107.623 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -44.71 -49.94 10.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 124.851 1.345 . . . . 1.0800000000000001 108.505 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.89 -59.67 4.32 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 113.63 -1.623 . . . . 1.8400000000000001 107.88 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 4.7 mmtm -57.44 -26.1 60.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.583 -1.189 . . . . 1.8600000000000001 111.936 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.83 -33.65 64.24 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 117.357 -1.737 . . . . 1.22 107.691 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.1 m-80 -67.6 -43.11 81.27 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 117.318 -1.753 . . . . 1.7 107.839 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' CD ' ' HZ2' ' A' ' 25' ' ' LYS . 82.3 mt-10 -61.19 -44.7 96.87 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 114.567 -1.197 . . . . 2.6099999999999999 112.337 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.97 29.31 1.22 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.422 -1.311 . . . . 1.79 114.258 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 48.03 70.33 0.45 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.984 1.428 . . . . 2.4500000000000002 108.419 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.34 52.94 1.34 Allowed 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 104.544 -2.391 . . . . 0.89000000000000001 104.544 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -61.89 -51.04 69.79 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.107 -1.861 . . . . 2.8300000000000001 111.786 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -52.68 -43.82 65.82 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 123.761 1.743 . . . . 2.1499999999999999 108.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 21.2 mp0 -62.11 -33.65 74.86 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 112.103 -2.317 . . . . 2.2599999999999998 108.038 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.72 72.24 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.486 -1.286 . . . . 0.65000000000000002 108.638 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.69 -49.18 62.92 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 118.743 -1.183 . . . . 1.6699999999999999 110.662 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.03 -35.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 C-N-CA 117.891 -1.524 . . . . 1.1200000000000001 107.598 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 19' ' ' THR . 34.8 t -65.18 -27.73 68.9 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.555 -1.258 . . . . 0.69999999999999996 109.538 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' HIS . 7.9 mm-40 -71.75 -40.12 69.57 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.473 -1.677 . . . . 2.8199999999999998 106.473 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -60.11 -34.18 73.15 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 117.798 -1.561 . . . . 0.77000000000000002 107.434 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -74.72 -36.1 62.68 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.836 -1.145 . . . . 1.22 108.06 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 83.7 t60 -53.31 -49.69 66.49 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.341 -1.754 . . . . 1.21 109.844 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 18.6 t70 -87.33 -28.11 22.44 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 117.011 -1.876 . . . . 1.8600000000000001 112.271 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -70.65 -17.92 62.86 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 116.71 -1.996 . . . . 2.2400000000000002 106.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.09 -29.35 62.86 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 104.728 -2.323 . . . . 0.69999999999999996 104.728 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 7.9 t70 -75.58 -6.57 50.98 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 112.993 -1.912 . . . . 1.45 108.952 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CD ' HH11 ' A' ' 50' ' ' ARG . 5.9 tp10 -65.41 -39.93 92.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 101.793 -3.41 . . . . 2.02 101.793 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 84.9 mt -72.17 5.32 2.86 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 114.521 -1.218 . . . . 1.52 110.247 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE2' ' HG ' ' A' ' 9' ' ' LEU . 43.5 t80 -104.29 -58.71 1.84 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 105.026 -2.213 . . . . 1.3999999999999999 105.026 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.409 HH11 ' CD ' ' A' ' 47' ' ' GLU . 8.9 ptp180 -65.03 -53.24 48.99 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.455 -1.248 . . . . 2.29 111.175 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -60.18 -39.41 86.39 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.769 -1.172 . . . . 2.1099999999999999 110.15 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.527 ' SG ' ' HG2' ' B' ' 34' ' ' GLN . 87.1 m -69.41 -33.58 73.2 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 116.339 -2.144 . . . . 2.4100000000000001 108.868 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.55 -27.27 69.05 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.684 -1.599 . . . . 1.5800000000000001 106.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.7 -58.49 6.72 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 116.741 -1.983 . . . . 2.0 109.287 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.542 HH22 ' C ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -68.37 -28.28 66.98 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 116.537 -2.065 . . . . 3.6499999999999999 110.851 -177.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 52' ' ' CYS . 19.8 m-30 -69.58 -28.27 65.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 104.915 -2.254 . . . . 3.1099999999999999 104.915 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.8 -55.53 19.32 Favored Glycine 0 C--N 1.297 -1.607 0 N-CA-C 105.511 -3.036 . . . . 4.8499999999999996 105.511 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -86.77 48.28 1.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 109.36 -0.608 . . . . 7.1900000000000004 109.36 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.454 ' HB3' ' H1 ' ' A' ' 1' ' ' MET . 5.3 t70 -107.77 154.77 21.04 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.641 -1.244 . . . . 8.6199999999999992 107.641 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.0 39.44 2.79 Favored Glycine 0 C--N 1.298 -1.541 0 N-CA-C 106.948 -2.461 . . . . 9.7400000000000002 106.948 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 46.97 46.69 15.83 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 125.233 1.196 . . . . 10.960000000000001 109.174 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -153.84 -59.21 0.13 Allowed 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 117.204 -1.798 . . . . 12.6 109.545 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.542 ' C ' HH22 ' A' ' 55' ' ' ARG . 3.3 pp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 116.659 -1.639 . . . . 12.960000000000001 107.649 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.482 ' H2 ' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 108.488 -0.93 . . . . 5.3700000000000001 108.488 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.43 HG23 ' N ' ' B' ' 3' ' ' LYS . 9.7 t -177.73 -145.38 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 103.375 -2.824 . . . . 4.0199999999999996 103.375 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.43 ' N ' HG23 ' B' ' 2' ' ' THR . 31.7 mmtm -69.44 -0.7 6.86 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.527 -0.869 . . . . 4.9500000000000002 112.109 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -63.98 -43.73 94.84 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 106.21 -1.774 . . . . 4.0899999999999999 106.21 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.482 ' CD ' ' H2 ' ' B' ' 1' ' ' MET . 1.6 mp0 -57.46 -42.77 83.2 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 113.98 -1.463 . . . . 2.5299999999999998 109.678 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -38.08 80.28 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 118.17 -1.412 . . . . 3.7799999999999998 108.049 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -67.03 -54.73 18.85 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 117.407 -1.717 . . . . 1.8200000000000001 109.421 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.09 72.09 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.565 -0.854 . . . . 0.87 111.612 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' B' ' 49' ' ' TYR . 56.9 tp -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 105.974 -1.862 . . . . 2.3700000000000001 105.974 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -67.17 -25.74 66.3 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 112.863 -1.971 . . . . 2.1499999999999999 110.857 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.6 mmm -71.99 -38.48 69.67 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 117.854 -1.538 . . . . 2.4199999999999999 109.378 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.5 90.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 105.882 -1.895 . . . . 0.67000000000000004 105.882 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.447 HH22 ' HA ' ' B' ' 14' ' ' PHE . 9.3 ttp85 -64.72 -25.89 68.13 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.712 -1.586 . . . . 3.1499999999999999 106.849 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.447 ' HA ' HH22 ' B' ' 13' ' ' ARG . 56.7 t80 -72.54 -33.64 67.0 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.342 -1.743 . . . . 2.71 107.764 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.73 -39.55 85.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 103.94 -2.615 . . . . 0.93000000000000005 103.94 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.499 HH21 ' CG ' ' B' ' 42' ' ' HIS . 56.9 mtp85 -61.85 -36.22 80.59 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 115.869 -2.332 . . . . 2.6800000000000002 108.201 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -65.86 -35.52 80.89 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.026 -1.469 . . . . 0.71999999999999997 109.393 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.0 -59.6 2.82 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.834 -1.147 . . . . 1.8 108.214 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -47.7 -35.07 9.06 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.184 -1.371 . . . . 0.56000000000000005 111.223 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.14 -53.65 55.24 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 106.275 -1.75 . . . . 1.3100000000000001 106.275 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.5 m -60.58 -17.31 45.7 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 112.874 -1.966 . . . . 1.02 111.166 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.75 -33.61 16.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.3 -1.36 . . . . 1.71 109.496 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.17 -45.11 91.87 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 105.653 -1.98 . . . . 1.0800000000000001 105.653 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 7.0 tt0 -43.53 -68.55 0.19 Allowed 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 111.449 -2.614 . . . . 1.8400000000000001 109.047 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 59.1 mttp -63.08 -57.58 10.16 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 112.497 -2.138 . . . . 1.8600000000000001 114.866 -177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.18 -38.36 11.74 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.53 -0.868 . . . . 1.22 111.023 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.06 -55.86 29.55 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.585 -1.246 . . . . 1.7 109.58 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.96 -22.89 67.12 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.575 -1.25 . . . . 2.6099999999999999 110.447 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.9 mt -86.92 29.47 0.81 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 118.791 -1.164 . . . . 1.79 109.572 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.453 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 25.7 t70 37.47 49.36 0.97 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 125.775 1.922 . . . . 2.4500000000000002 108.866 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.32 52.04 1.25 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 100.471 -3.9 . . . . 0.89000000000000001 100.471 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.89 -34.97 78.51 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 113.212 -1.813 . . . . 2.8300000000000001 110.564 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -51.89 67.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.317 -2.475 . . . . 2.1499999999999999 104.317 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.527 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 26.3 mp0 -66.35 -16.28 63.94 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.764 -1.562 . . . . 2.2599999999999998 110.239 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.54 -44.86 70.07 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.572 -2.01 . . . . 0.65000000000000002 105.572 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.98 -56.17 25.15 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.011 -1.477 . . . . 1.6699999999999999 107.011 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -52.3 -31.77 15.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-N 112.654 -2.066 . . . . 1.1200000000000001 109.228 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 38.2 t -67.79 -44.49 77.24 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 118.293 -1.363 . . . . 0.69999999999999996 108.493 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 46.3 mt-10 -70.8 -31.57 68.37 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 117.875 -1.53 . . . . 2.8199999999999998 109.386 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.2 m -68.14 -33.4 74.42 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 117.751 -1.58 . . . . 0.77000000000000002 107.756 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.47 -40.1 67.23 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.616 -1.994 . . . . 1.22 105.616 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.499 ' CG ' HH21 ' B' ' 16' ' ' ARG . 8.9 t60 -48.51 -59.48 3.46 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 112.583 -2.099 . . . . 1.21 110.12 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.482 ' CG ' HH22 ' B' ' 16' ' ' ARG . 3.4 m-20 -79.83 -17.49 53.15 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 116.666 -2.014 . . . . 1.8600000000000001 112.385 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.55 -30.74 71.77 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 104.288 -2.486 . . . . 2.2400000000000002 104.288 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.11 -28.44 64.32 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.442 -1.303 . . . . 0.69999999999999996 108.403 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' HB2' ' NH1' ' B' ' 16' ' ' ARG . 19.5 t70 -64.13 -33.76 76.5 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.372 -1.286 . . . . 1.45 109.076 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -54.19 -46.44 72.39 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 118.815 -1.154 . . . . 2.02 108.669 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.431 HD12 ' N ' ' B' ' 48' ' ' LEU . 6.9 mp -57.23 -44.58 83.92 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.172 -1.411 . . . . 1.52 108.177 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' B' ' 13' ' ' ARG . 24.8 t80 -56.65 -49.87 73.75 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 124.871 1.357 . . . . 1.3999999999999999 110.908 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' B' ' 50' ' ' ARG . 8.1 mmp_? -58.81 -51.27 70.72 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 118.574 -1.25 . . . . 2.29 108.142 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -59.34 -26.68 65.25 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.178 -1.374 . . . . 2.1099999999999999 110.173 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 92.2 m -76.52 -27.66 56.08 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 117.85 -1.54 . . . . 2.4100000000000001 107.553 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.4 -36.44 81.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 105.314 -2.106 . . . . 1.5800000000000001 105.314 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.42 5.81 0.71 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 118.711 -1.196 . . . . 2.0 113.282 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 55' ' ' ARG . 13.0 mmt180 -129.02 -55.39 1.2 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.701 -1.592 . . . . 3.6499999999999999 106.701 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -78.75 4.41 13.91 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 112.759 -2.019 . . . . 3.1099999999999999 110.614 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.73 163.28 16.19 Favored Glycine 0 N--CA 1.48 1.618 0 N-CA-C 106.106 -2.798 . . . . 4.8499999999999996 106.106 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.84 -33.79 60.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.137 -2.542 . . . . 7.1900000000000004 104.137 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.26 148.32 51.89 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.041 -1.436 . . . . 8.6199999999999992 107.475 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.85 19.99 1.12 Allowed Glycine 0 C--N 1.297 -1.607 0 N-CA-C 106.795 -2.522 . . . . 9.7400000000000002 106.795 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -126.28 -38.7 2.11 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.064 -1.088 . . . . 10.960000000000001 108.064 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.523 ' C ' HD22 ' B' ' 62' ' ' ASN . 0.2 OUTLIER 69.3 98.36 0.06 Allowed 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 105.15 -2.167 . . . . 12.6 105.15 -178.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 42.5 tp . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 100.569 -3.863 . . . . 12.960000000000001 100.569 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' H ' ' A' ' 2' ' ' THR . 6.0 ptm . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 104.804 -2.295 . . . . 5.3700000000000001 104.804 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.471 ' H ' ' HG3' ' A' ' 1' ' ' MET . 6.2 m -84.12 154.91 22.87 Favored 'General case' 0 C--N 1.298 -1.667 1 N-CA-C 98.532 -4.618 . . . . 4.0199999999999996 98.532 178.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 2.8 mptp? -89.99 -16.55 29.63 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.412 -1.715 . . . . 4.9500000000000002 111.438 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.76 -27.12 68.07 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 105.921 -1.881 . . . . 4.0899999999999999 105.921 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -61.94 -42.85 99.58 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 123.279 1.514 . . . . 2.5299999999999998 106.99 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.592 ' HZ1' ' H ' ' A' ' 59' ' ' ASP . 20.2 mmtp -69.53 -31.83 70.3 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.769 -2.014 . . . . 3.7799999999999998 108.918 -177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -73.59 -24.51 60.07 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 116.58 -2.048 . . . . 1.8200000000000001 105.913 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -57.5 4.74 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.604 -1.238 . . . . 0.87 112.348 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.588 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 2.6 pt? -68.48 -27.94 66.59 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 115.111 -2.636 . . . . 2.3700000000000001 108.658 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -66.76 -36.96 83.65 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 115.831 -2.348 . . . . 2.1499999999999999 106.823 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.401 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 43.0 tpp -63.3 -45.51 91.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.999 -1.482 . . . . 2.4199999999999999 106.999 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.08 69.3 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.123 -1.031 . . . . 0.67000000000000004 109.383 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -66.05 -39.7 90.33 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.289 -2.115 . . . . 3.1499999999999999 105.289 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 9.4 m-85 -72.32 -24.5 61.32 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.425 -1.31 . . . . 2.71 109.835 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.96 -37.07 79.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 103.991 -2.596 . . . . 0.93000000000000005 103.991 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 47.9 ttp180 -64.57 -37.74 88.62 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.333 -1.747 . . . . 2.6800000000000002 106.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -60.45 -38.6 84.68 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.95 -1.5 . . . . 0.71999999999999997 108.042 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.98 -40.08 92.08 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 117.546 -1.662 . . . . 1.8 107.018 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 m -59.84 -30.7 69.13 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.879 -1.128 . . . . 0.56000000000000005 108.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.69 -58.58 5.9 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 104.032 -2.581 . . . . 1.3100000000000001 104.032 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.4 m -53.49 -19.61 3.86 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.802 -1.09 . . . . 1.02 110.795 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.81 -36.25 23.66 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.45 -1.3 . . . . 1.71 109.846 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' CD1' HD21 ' A' ' 27' ' ' ASN . 20.0 tp -50.49 -59.66 3.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 124.406 1.066 . . . . 1.0800000000000001 111.037 -179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 3.8 mp0 -43.97 -57.09 3.52 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 125.006 1.441 . . . . 1.8400000000000001 108.747 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HE3' ' SD ' ' B' ' 11' ' ' MET . 62.2 mttm -51.21 -47.48 62.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.361 -1.29 . . . . 1.8600000000000001 111.403 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.54 -33.85 68.53 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.552 -1.259 . . . . 1.22 110.966 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.411 HD21 ' CD1' ' A' ' 23' ' ' LEU . 67.9 m-80 -69.76 -53.55 17.85 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 117.613 -1.635 . . . . 1.7 110.171 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.53 -26.46 68.72 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.526 -1.27 . . . . 2.6099999999999999 110.782 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -89.97 14.14 12.96 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.346 -0.942 . . . . 1.79 110.434 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' HH21 ' B' ' 55' ' ' ARG . 19.3 t0 48.75 71.66 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 123.222 1.487 . . . . 2.4500000000000002 109.288 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.98 55.05 1.72 Allowed 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 103.668 -2.715 . . . . 0.89000000000000001 103.668 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.57 -39.47 64.83 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.621 -1.627 . . . . 2.8300000000000001 109.408 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 34' ' ' GLN . 8.9 pt-20 -60.33 -41.47 93.62 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.903 -1.519 . . . . 2.1499999999999999 108.28 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.555 ' HG3' ' SG ' ' B' ' 52' ' ' CYS . 91.1 mm-40 -74.74 -14.44 60.72 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.794 -1.562 . . . . 2.2599999999999998 108.691 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -56.92 6.94 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 104.217 -2.512 . . . . 0.65000000000000002 104.217 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -50.61 -55.55 15.83 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 117.653 -1.619 . . . . 1.6699999999999999 110.242 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.3 mm -55.42 -31.53 27.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 112.93 -1.941 . . . . 1.1200000000000001 109.193 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.2 t -71.23 -43.33 67.52 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 118.27 -1.372 . . . . 0.69999999999999996 110.025 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.5 76.02 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 117.99 -1.484 . . . . 2.8199999999999998 107.945 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -59.96 -31.85 70.26 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.619 -1.173 . . . . 0.77000000000000002 109.773 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -74.45 -35.43 63.33 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.717 -1.216 . . . . 1.22 107.717 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 19.9 t60 -57.42 -59.82 4.58 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 112.425 -2.17 . . . . 1.21 108.726 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.43 -40.57 96.0 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 117.404 -1.719 . . . . 1.8600000000000001 110.698 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -61.21 -28.58 69.25 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.101 -1.84 . . . . 2.2400000000000002 109.392 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.67 65.69 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 104.378 -2.453 . . . . 0.69999999999999996 104.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -73.03 -16.2 61.5 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 117.659 -1.616 . . . . 1.45 106.686 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -76.81 -36.8 56.66 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 104.488 -2.412 . . . . 2.02 104.488 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.94 -31.83 73.25 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 104.458 -2.423 . . . . 1.52 104.458 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 83.4 t80 -69.66 -43.24 72.99 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 119.219 -0.992 . . . . 1.3999999999999999 109.844 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -64.13 -63.52 1.13 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.5 -0.926 . . . . 2.29 108.5 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.1 m -50.0 -43.36 50.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.553 -1.203 . . . . 2.1099999999999999 111.887 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 9' ' ' LEU . 28.6 p -72.9 -29.94 63.54 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 116.184 -2.207 . . . . 2.4100000000000001 108.962 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.8 -25.48 66.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.009 -1.848 . . . . 1.5800000000000001 106.009 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.85 -29.56 67.91 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 116.866 -1.934 . . . . 2.0 106.75 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.422 HH12 ' C ' ' B' ' 30' ' ' ASP . 12.2 tpp85 -85.24 -21.94 28.86 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.828 -1.078 . . . . 3.6499999999999999 110.408 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 29.5 m-85 -112.83 -5.7 13.86 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 115.56 1.689 . . . . 3.1099999999999999 115.56 -177.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.0 95.88 0.21 Allowed Glycine 0 N--CA 1.485 1.932 0 C-N-CA 117.344 -2.36 . . . . 4.8499999999999996 111.55 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.436 ' CG ' ' H1 ' ' A' ' 1' ' ' MET . 5.3 p-10 -160.27 -44.5 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.726 -1.19 . . . . 7.1900000000000004 109.492 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.592 ' H ' ' HZ1' ' A' ' 6' ' ' LYS . 75.0 m-20 -75.51 -8.89 57.92 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.049 -1.834 . . . . 8.6199999999999992 106.049 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.76 -171.3 32.72 Favored Glycine 0 C--N 1.297 -1.626 0 N-CA-C 104.308 -3.517 . . . . 9.7400000000000002 104.308 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -32.02 11.9 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.692 -0.803 . . . . 10.960000000000001 111.389 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -110.28 17.35 20.99 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.758 -1.571 . . . . 12.6 106.758 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.462 0 N-CA-C 107.49 -1.3 . . . . 12.960000000000001 107.49 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.516 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.1 mpp? . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.702 -0.11 . . . . 5.3700000000000001 110.702 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.5 m 68.83 13.95 8.89 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.834 0.826 . . . . 4.0199999999999996 109.461 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -89.92 -113.65 0.07 Allowed 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.116 -1.809 . . . . 4.9500000000000002 106.116 178.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -81.39 -17.66 48.2 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 119.981 -0.688 . . . . 4.0899999999999999 110.693 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' B' ' 5' ' ' GLU . 0.1 OUTLIER -64.53 -33.84 76.84 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.474 -2.047 . . . . 2.5299999999999998 105.474 -179.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.511 ' CE ' ' HA ' ' B' ' 6' ' ' LYS . 0.4 OUTLIER -69.82 -28.25 65.55 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 118.422 -1.311 . . . . 3.7799999999999998 109.109 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -68.57 -48.46 64.17 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 117.341 -1.743 . . . . 1.8200000000000001 107.137 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.99 79.29 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.427 -1.309 . . . . 0.87 109.38 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.12 -49.19 72.38 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 113.902 -1.499 . . . . 2.3700000000000001 111.971 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -69.01 -34.94 76.07 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.197 -1.401 . . . . 2.1499999999999999 111.71 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . 0.406 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 93.8 mtp -70.11 -36.6 74.97 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 117.958 -1.497 . . . . 2.4199999999999999 109.15 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.91 73.03 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.849 -1.908 . . . . 0.67000000000000004 105.849 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -70.96 -25.16 62.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 105.746 -1.946 . . . . 3.1499999999999999 105.746 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -32.73 59.89 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.719 -1.586 . . . . 2.71 106.719 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -59.22 -48.04 88.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 103.525 -2.769 . . . . 0.93000000000000005 103.525 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.508 ' HD2' ' HA ' ' B' ' 46' ' ' ASP . 33.7 mtp-105 -55.88 -36.41 67.59 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 118.002 -1.479 . . . . 2.6800000000000002 110.578 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -64.44 -56.68 12.65 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 117.606 -1.638 . . . . 0.71999999999999997 109.235 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -54.79 -60.45 3.34 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.688 0.756 . . . . 1.8 109.951 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.402 HG22 ' SG ' ' B' ' 38' ' ' CYS . 30.5 m -51.85 -31.22 26.91 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.183 -1.826 . . . . 0.56000000000000005 110.946 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.18 -49.17 53.07 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 116.98 -1.888 . . . . 1.3100000000000001 108.431 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -70.63 -19.95 62.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 117.538 -1.665 . . . . 1.02 108.207 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 tp -72.76 -43.65 62.58 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.687 -1.968 . . . . 1.71 105.687 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.59 -51.97 61.31 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.558 -1.645 . . . . 1.0800000000000001 106.558 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -48.01 -59.77 3.11 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.593 -1.64 . . . . 1.8400000000000001 108.523 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -59.33 -28.75 67.1 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.666 -1.152 . . . . 1.8600000000000001 111.574 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 74.4 mt -67.28 -42.82 83.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 116.794 -1.963 . . . . 1.22 106.325 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -57.44 -42.42 82.41 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.416 -1.313 . . . . 1.7 109.656 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -62.87 -34.43 77.37 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.323 -1.351 . . . . 2.6099999999999999 110.105 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.96 28.23 1.42 Allowed 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.399 -0.921 . . . . 1.79 109.878 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.422 ' C ' HH12 ' A' ' 55' ' ' ARG . 5.8 m-20 50.88 17.6 0.43 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.126 0.891 . . . . 2.4500000000000002 111.034 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.59 50.46 1.91 Allowed 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.768 -0.773 . . . . 0.89000000000000001 109.571 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -62.96 -32.51 73.85 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 124.296 0.998 . . . . 2.8300000000000001 110.707 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.405 ' CD ' HE22 ' B' ' 34' ' ' GLN . 1.5 mp0 -57.79 -50.4 73.37 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 104.887 -2.264 . . . . 2.1499999999999999 104.887 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.405 HE22 ' CD ' ' B' ' 33' ' ' GLU . 3.4 mp0 -64.91 -23.15 67.14 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.914 -1.494 . . . . 2.2599999999999998 109.107 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.67 70.75 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.414 -1.714 . . . . 0.65000000000000002 108.268 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -60.21 -49.6 76.98 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.311 -1.737 . . . . 1.6699999999999999 106.311 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.31 -34.4 50.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 112.124 -2.307 . . . . 1.1200000000000001 107.739 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' B' ' 19' ' ' THR . 34.9 t -72.86 -29.56 63.3 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 118.666 -1.214 . . . . 0.69999999999999996 109.799 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -67.72 -52.7 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.817 -1.549 . . . . 2.8199999999999998 106.817 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.5 m -59.56 -34.49 72.75 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 114.294 -1.321 . . . . 0.77000000000000002 109.124 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.42 -39.07 81.74 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.192 -1.403 . . . . 1.22 108.808 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -61.91 -54.56 40.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.029 -1.441 . . . . 1.21 109.647 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.89 -47.11 81.27 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.294 1.045 . . . . 1.8600000000000001 109.973 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -62.55 -32.18 73.09 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 113.523 -1.671 . . . . 2.2400000000000002 108.565 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.17 -21.28 46.65 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.525 -1.287 . . . . 0.69999999999999996 107.525 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.508 ' HA ' ' HD2' ' B' ' 16' ' ' ARG . 33.7 t0 -78.23 -8.9 58.9 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.405 -1.331 . . . . 1.45 107.405 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' B' ' 49' ' ' TYR . 22.1 mm-40 -70.85 -38.13 73.14 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 116.292 -2.163 . . . . 2.02 105.801 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.447 HD12 ' N ' ' B' ' 48' ' ' LEU . 8.0 mp -65.68 -4.29 6.09 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 114.104 -1.407 . . . . 1.52 108.722 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' B' ' 47' ' ' GLU . 56.6 t80 -107.94 -82.91 0.55 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 100.281 -3.97 . . . . 1.3999999999999999 100.281 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 30.8 mtm180 -33.42 -70.86 0.07 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.126 1.528 . . . . 2.29 115.126 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -57.77 -34.99 70.17 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.754 -1.179 . . . . 2.1099999999999999 109.893 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.555 ' SG ' ' HG3' ' A' ' 34' ' ' GLN . 77.5 m -70.37 -26.62 63.8 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 116.076 -2.25 . . . . 2.4100000000000001 109.197 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.84 -39.93 90.93 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 103.481 -2.785 . . . . 1.5800000000000001 103.481 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.97 -34.26 68.82 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 117.082 -1.847 . . . . 2.0 111.981 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.442 HH21 ' CG ' ' A' ' 30' ' ' ASP . 10.5 mmm180 -77.29 -19.1 56.93 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 117.991 -1.484 . . . . 3.6499999999999999 111.967 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -105.17 -50.66 3.19 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.365 -1.334 . . . . 3.1099999999999999 108.915 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.5 -16.89 27.78 Favored Glycine 0 N--CA 1.484 1.858 0 C-N-CA 119.303 -1.427 . . . . 4.8499999999999996 114.147 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.41 26.41 3.41 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 106.596 -1.631 . . . . 7.1900000000000004 106.596 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . 0.502 ' HA ' ' NZ ' ' B' ' 6' ' ' LYS . 1.0 OUTLIER -99.81 124.06 44.7 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 114.62 -1.173 . . . . 8.6199999999999992 112.939 -177.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.31 10.33 4.71 Favored Glycine 0 C--N 1.295 -1.715 0 N-CA-C 104.174 -3.571 . . . . 9.7400000000000002 104.174 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' B' ' 61' ' ' GLU . 13.9 mp0 -81.74 142.76 32.35 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 104.144 -2.539 . . . . 10.960000000000001 104.144 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -145.89 81.79 1.61 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.471 -1.307 . . . . 12.6 107.471 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.433 ' C ' HH22 ' B' ' 16' ' ' ARG . 20.2 tp . . . . . 0 C--N 1.301 -1.532 0 N-CA-C 102.516 -3.142 . . . . 12.960000000000001 102.516 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 105.241 -2.133 . . . . 5.3700000000000001 105.241 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -127.59 -142.69 0.27 Allowed 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.003 -1.079 . . . . 4.0199999999999996 111.856 -178.292 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -73.4 -70.31 0.38 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 115.196 1.554 . . . . 4.9500000000000002 115.196 -177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.532 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 4.9 pm0 -85.08 53.36 2.71 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 115.185 1.55 . . . . 4.0899999999999999 115.185 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.23 -74.61 0.09 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.754 -1.179 . . . . 2.5299999999999998 108.474 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -63.86 -22.33 66.87 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.973 -1.491 . . . . 3.7799999999999998 112.507 -178.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.498 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 5.9 m -78.16 -38.02 44.54 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 116.408 -2.117 . . . . 1.8200000000000001 109.301 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.1 75.32 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.756 -2.313 . . . . 0.87 104.756 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -58.18 -65.35 0.66 Allowed 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 113.353 -1.749 . . . . 2.3700000000000001 109.54 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 11' ' ' MET . 0.4 OUTLIER -61.91 -21.13 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 118.065 -1.454 . . . . 2.1499999999999999 112.257 -178.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' HD22 ' A' ' 10' ' ' ASN . 75.9 mmm -84.9 -21.85 29.53 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 117.094 -1.842 . . . . 2.4199999999999999 108.568 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.36 -45.39 76.44 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 102.678 -3.082 . . . . 0.67000000000000004 102.678 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -59.39 -26.8 65.43 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 111.551 -2.568 . . . . 3.1499999999999999 108.119 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.63 -49.54 68.31 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 117.366 -1.734 . . . . 2.71 107.645 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.0 mt -57.6 -38.58 64.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 C-N-CA 118.552 -1.259 . . . . 0.93000000000000005 108.179 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 ttt180 -56.16 -43.61 78.5 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 118.365 -1.334 . . . . 2.6800000000000002 107.505 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 m -63.78 -43.69 95.6 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.687 -1.205 . . . . 0.71999999999999997 110.698 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.92 -48.55 75.49 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 118.057 -1.457 . . . . 1.8 109.51 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.7 m -56.78 -35.48 68.74 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 114.451 -1.25 . . . . 0.56000000000000005 111.265 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.64 -45.92 92.27 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.747 -1.575 . . . . 1.3100000000000001 106.747 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -58.82 -37.17 75.79 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 114.015 -1.448 . . . . 1.02 108.484 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.07 -44.98 96.56 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 117.096 -1.842 . . . . 1.71 108.899 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.8 tp -49.72 -45.27 49.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 124.347 1.029 . . . . 1.0800000000000001 108.651 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.34 -43.21 88.2 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.686 -1.143 . . . . 1.8400000000000001 108.967 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -65.4 -36.5 84.16 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 116.9 -1.92 . . . . 1.8600000000000001 110.175 -178.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.504 HD22 ' SG ' ' A' ' 38' ' ' CYS . 11.0 mp -70.66 -22.37 62.5 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.538 -1.665 . . . . 1.22 107.832 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -64.49 -35.15 80.03 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.501 -1.666 . . . . 1.7 106.501 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -53.44 57.48 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 118.367 -1.333 . . . . 2.6099999999999999 108.134 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.4 mp -89.98 25.7 2.05 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.27 -0.972 . . . . 1.79 112.348 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' CG ' HH22 ' B' ' 55' ' ' ARG . 6.7 p-10 33.84 31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 125.443 1.715 . . . . 2.4500000000000002 112.7 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -68.69 86.17 0.32 Allowed 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.073 -1.051 . . . . 0.89000000000000001 109.373 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.67 -52.63 63.56 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 125.102 1.501 . . . . 2.8300000000000001 110.876 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -49.49 -57.14 7.59 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.082 -1.417 . . . . 2.1499999999999999 110.224 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -72.39 -15.08 61.85 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 117.432 -1.707 . . . . 2.2599999999999998 110.144 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.05 78.59 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 103.667 -2.716 . . . . 0.65000000000000002 103.667 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.58 -53.62 56.3 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 117.448 -1.701 . . . . 1.6699999999999999 107.761 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.1 mt -52.62 -34.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 C-N-CA 117.947 -1.501 . . . . 1.1200000000000001 109.558 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.504 ' SG ' HD22 ' A' ' 26' ' ' LEU . 55.6 m -70.04 -37.96 75.73 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 117.599 -1.64 . . . . 0.69999999999999996 111.062 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.08 -47.48 51.12 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 117.954 -1.498 . . . . 2.8199999999999998 108.691 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' HIS . 17.5 m -59.45 -35.04 73.3 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 118.741 -1.184 . . . . 0.77000000000000002 108.369 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -72.13 -42.65 65.77 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 122.019 0.914 . . . . 1.22 108.566 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 16' ' ' ARG . 84.4 t60 -52.06 -50.98 60.44 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 112.921 -1.945 . . . . 1.21 108.552 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.06 -24.04 38.09 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.886 -1.506 . . . . 1.8600000000000001 112.27 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CE1' HG23 ' B' ' 37' ' ' ILE . 67.2 t60 -65.18 -35.82 82.27 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.22 -2.141 . . . . 2.2400000000000002 105.22 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.17 69.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 105.955 -1.868 . . . . 0.69999999999999996 105.955 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' CG ' ' NH1' ' A' ' 16' ' ' ARG . 36.9 t70 -68.34 -16.58 63.99 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.078 -1.449 . . . . 1.45 110.247 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 49' ' ' TYR . 9.4 mm-40 -65.01 -33.22 75.53 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 116.016 -2.274 . . . . 2.02 105.898 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.39 11.36 0.79 Allowed 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 113.623 -1.626 . . . . 1.52 108.832 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' A' ' 47' ' ' GLU . 44.6 t80 -120.15 -37.03 3.13 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 103.054 -2.943 . . . . 1.3999999999999999 103.054 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -75.28 -79.75 0.09 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.518 -1.219 . . . . 2.29 112.716 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB2' ' NE2' ' B' ' 34' ' ' GLN . 15.0 m -55.96 -21.2 19.6 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.558 -0.857 . . . . 2.1099999999999999 111.029 -178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' B' ' 34' ' ' GLN . 50.9 m -73.57 -47.69 38.62 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 117.724 -1.591 . . . . 2.4100000000000001 106.82 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.5 -32.29 73.17 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 117.591 -1.644 . . . . 1.5800000000000001 108.328 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.1 -23.01 12.34 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 118.692 -1.203 . . . . 2.0 110.708 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.462 HH12 ' CD ' ' B' ' 33' ' ' GLU . 75.6 mtm-85 -114.38 -14.02 12.23 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 118.51 -1.276 . . . . 3.6499999999999999 111.178 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 52' ' ' CYS . 9.5 m-30 -94.01 -6.28 45.67 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 117.809 -1.556 . . . . 3.1099999999999999 107.31 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.57 109.5 0.3 Allowed Glycine 0 N--CA 1.48 1.605 0 C-N-CA 118.498 -1.81 . . . . 4.8499999999999996 108.726 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.19 149.28 42.05 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 106.935 -1.506 . . . . 7.1900000000000004 106.935 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -79.71 -32.13 41.25 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.299 -2.111 . . . . 8.6199999999999992 105.299 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.24 -56.92 0.61 Allowed Glycine 0 C--N 1.299 -1.475 0 N-CA-C 106.312 -2.715 . . . . 9.7400000000000002 106.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 62' ' ' ASN . 7.4 pt-20 -165.16 -51.39 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.848 -1.167 . . . . 10.960000000000001 107.848 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.539 HD22 ' C ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER 174.17 81.02 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 103.51 -2.774 . . . . 12.6 103.51 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--N 1.298 -1.663 0 CA-C-O 114.327 -2.749 . . . . 12.960000000000001 104.277 179.016 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 C--O 1.214 -0.774 0 N-CA-C 104.059 -2.571 . . . . 5.3700000000000001 104.059 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.28 12.11 0.13 Allowed 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 116.071 1.878 . . . . 4.0199999999999996 116.071 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' B' ' 4' ' ' GLN . 13.8 pttp -90.02 -118.78 0.06 Allowed 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 101.923 -3.362 . . . . 4.9500000000000002 101.923 178.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.485 ' N ' ' HG3' ' B' ' 3' ' ' LYS . 37.1 mt-30 -82.7 7.43 14.9 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 117.816 -1.553 . . . . 4.0899999999999999 111.151 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -69.52 -63.25 1.11 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 115.708 -2.397 . . . . 2.5299999999999998 107.555 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' B' ' 63' ' ' LEU . 13.8 tttp -57.58 -26.01 60.83 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.173 -1.376 . . . . 3.7799999999999998 109.075 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.7 m -78.17 -34.97 49.36 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.38 -1.328 . . . . 1.8200000000000001 110.737 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.3 70.07 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 106.095 -1.817 . . . . 0.87 106.095 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.7 tt -56.56 -52.84 63.28 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 111.391 -2.641 . . . . 2.3700000000000001 105.084 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.18 -49.5 73.85 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.559 -1.655 . . . . 2.1499999999999999 110.041 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 83.9 mmm -55.58 -39.49 70.76 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.214 -0.994 . . . . 2.4199999999999999 111.353 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.14 86.13 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.668 -1.613 . . . . 0.67000000000000004 107.939 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' B' ' 13' ' ' ARG . 2.8 tpm_? -67.62 -39.97 84.68 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 117.338 -1.745 . . . . 3.1499999999999999 109.958 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -65.66 -45.69 81.96 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.633 -1.227 . . . . 2.71 109.895 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 67.6 mt -53.72 -44.87 60.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 CA-C-N 115.439 -0.8 . . . . 0.93000000000000005 109.329 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' B' ' 42' ' ' HIS . 52.9 ttt85 -49.98 -52.98 29.56 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 118.428 -1.309 . . . . 2.6800000000000002 107.961 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -53.79 -49.37 68.44 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.057 -1.429 . . . . 0.71999999999999997 110.57 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.08 -39.37 78.37 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 118.478 -1.289 . . . . 1.8 110.552 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -59.97 -34.91 73.92 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 117.826 -1.55 . . . . 0.56000000000000005 109.626 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.45 -44.45 96.38 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 117.355 -1.738 . . . . 1.3100000000000001 106.385 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -61.57 -37.22 83.03 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.593 -1.243 . . . . 1.02 110.617 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.66 -32.58 68.06 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 118.168 -1.413 . . . . 1.71 109.389 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.66 -53.03 60.17 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.998 -1.081 . . . . 1.0800000000000001 109.79 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.446 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 17.3 mt-10 -43.69 -57.07 3.39 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 125.552 1.783 . . . . 1.8400000000000001 108.866 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 29' ' ' LEU . 35.5 mmtm -57.44 -50.87 71.61 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 111.9 -2.409 . . . . 1.8600000000000001 112.134 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -55.81 -29.41 59.7 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.19 -1.404 . . . . 1.22 110.223 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -67.15 -40.03 86.64 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 117.571 -1.652 . . . . 1.7 107.241 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.41 -32.48 64.45 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.828 -1.149 . . . . 2.6099999999999999 111.458 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 25' ' ' LYS . 44.5 mt -77.24 20.21 0.29 Allowed 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 115.187 1.551 . . . . 1.79 115.187 -176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 53.82 33.3 16.72 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 105.97 -1.863 . . . . 2.4500000000000002 105.97 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.426 ' HB1' ' CG ' ' B' ' 34' ' ' GLN . . . -111.45 68.97 0.67 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.326 -1.361 . . . . 0.89000000000000001 107.326 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -59.85 -58.6 7.84 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.235 -1.802 . . . . 2.8300000000000001 112.151 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.462 ' CD ' HH12 ' A' ' 55' ' ' ARG . 0.0 OUTLIER -64.12 -24.82 67.83 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.303 -1.359 . . . . 2.1499999999999999 109.994 -179.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' A' ' 52' ' ' CYS . 3.5 mm-40 -74.39 -27.68 60.75 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 116.496 -2.082 . . . . 2.2599999999999998 105.782 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -58.16 8.33 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 104.505 -2.406 . . . . 0.65000000000000002 104.505 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.62 -59.02 3.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 125.076 1.485 . . . . 1.6699999999999999 111.377 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' A' ' 44' ' ' HIS . 72.2 mt -55.01 -30.85 24.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 CA-C-N 113.851 -1.522 . . . . 1.1200000000000001 109.876 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 51.5 t -80.52 -27.22 37.72 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.696 -1.202 . . . . 0.69999999999999996 110.346 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.93 -41.86 64.09 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 104.523 -2.399 . . . . 2.8199999999999998 104.523 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 26.7 m -62.99 -42.54 99.87 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.044 -1.836 . . . . 0.77000000000000002 106.044 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.33 -39.74 88.13 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.369 -0.932 . . . . 1.22 108.798 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.503 ' CG ' HH11 ' B' ' 16' ' ' ARG . 3.0 t60 -52.65 -53.67 43.9 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 113.459 -1.7 . . . . 1.21 110.182 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.21 -29.71 34.47 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.15 -1.82 . . . . 1.8600000000000001 112.227 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.56 -26.24 67.03 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 117.519 -1.672 . . . . 2.2400000000000002 108.532 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.18 74.73 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.276 -2.861 . . . . 0.69999999999999996 103.276 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.435 ' HB3' HH12 ' B' ' 50' ' ' ARG . 33.7 t0 -77.21 -20.53 55.18 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 113.242 -1.799 . . . . 1.45 106.83 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.46 -36.59 73.99 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 116.481 -2.088 . . . . 2.02 106.692 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.421 HD21 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -64.73 -43.77 92.31 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.988 -2.597 . . . . 1.52 103.988 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 80.7 t80 -54.77 -45.98 74.32 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.553 -1.203 . . . . 1.3999999999999999 110.896 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.435 HH12 ' HB3' ' B' ' 46' ' ' ASP . 56.8 mtm-85 -67.18 -55.76 12.78 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.635 -0.826 . . . . 2.29 110.476 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.0 m -56.12 -25.21 45.01 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.451 -1.25 . . . . 2.1099999999999999 110.405 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' B' ' 56' ' ' PHE . 52.4 t -66.73 -47.48 72.17 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.064 -2.198 . . . . 2.4100000000000001 105.064 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.45 -37.66 73.21 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 118.003 -1.479 . . . . 1.5800000000000001 108.159 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.22 -60.34 3.32 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 115.121 1.526 . . . . 2.0 115.121 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.445 HH22 ' CG ' ' A' ' 30' ' ' ASP . 26.4 ttt180 -85.66 -34.01 21.44 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 116.658 -2.017 . . . . 3.6499999999999999 112.081 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' SG ' ' B' ' 52' ' ' CYS . 2.2 m-30 -75.17 -23.05 57.67 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 116.53 -2.068 . . . . 3.1099999999999999 107.605 -179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.27 60.21 6.15 Favored Glycine 0 N--CA 1.478 1.491 1 N-CA-C 100.121 -5.191 . . . . 4.8499999999999996 100.121 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.9 t0 56.07 -107.78 0.4 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 103.178 -2.897 . . . . 7.1900000000000004 103.178 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -146.37 15.12 1.29 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 104.212 -2.514 . . . . 8.6199999999999992 104.212 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.81 40.69 0.64 Allowed Glycine 0 C--N 1.297 -1.607 0 N-CA-C 103.533 -3.827 . . . . 9.7400000000000002 103.533 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' B' ' 61' ' ' GLU . 10.8 mp0 43.75 37.85 1.79 Allowed 'General case' 0 N--CA 1.485 1.296 0 O-C-N 125.583 1.402 . . . . 10.960000000000001 110.821 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -86.89 177.34 7.3 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 117.658 -1.617 . . . . 12.6 106.799 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.475 HD22 ' N ' ' B' ' 63' ' ' LEU . 2.4 mm? . . . . . 0 C--N 1.3 -1.559 0 N-CA-C 102.274 -3.232 . . . . 12.960000000000001 102.274 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 107.139 -1.43 . . . . 5.3700000000000001 107.139 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -153.79 -178.13 6.85 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.99 -1.485 . . . . 4.0199999999999996 106.99 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.82 -24.64 66.19 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 117.362 -1.735 . . . . 4.9500000000000002 109.192 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.27 -27.2 67.0 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 117.896 -1.522 . . . . 4.0899999999999999 108.606 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 21.8 mp0 -68.94 -45.52 70.55 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 104.038 -2.579 . . . . 2.5299999999999998 104.038 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -60.58 -32.91 71.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.753 -1.579 . . . . 3.7799999999999998 107.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 m -69.46 -37.99 77.55 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 117.52 -1.672 . . . . 1.8200000000000001 107.2 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.44 -27.01 67.49 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.972 -1.091 . . . . 0.87 109.2 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.89 -41.71 97.64 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 104.978 -2.23 . . . . 2.3700000000000001 104.978 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -71.1 -35.88 71.98 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.007 -1.477 . . . . 2.1499999999999999 112.512 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.466 ' SD ' ' HG ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -72.67 -29.61 63.57 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 115.818 -2.353 . . . . 2.4199999999999999 107.917 -178.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 105.715 -1.957 . . . . 0.67000000000000004 105.715 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 38.5 ttm180 -63.08 -30.51 71.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.578 -1.647 . . . . 3.1499999999999999 107.556 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.38 -47.93 83.58 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.209 -1.797 . . . . 2.71 108.037 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.85 -36.8 63.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.825 -1.15 . . . . 0.93000000000000005 108.056 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.464 HH21 ' CD2' ' A' ' 42' ' ' HIS . 18.1 mtp180 -61.8 -52.37 64.47 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 117.188 -1.805 . . . . 2.6800000000000002 110.683 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -61.53 -34.15 75.05 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.856 -1.066 . . . . 0.71999999999999997 110.914 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.46 -54.17 36.66 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.153 -1.795 . . . . 1.8 106.153 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -60.78 -26.53 67.32 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.159 -1.837 . . . . 0.56000000000000005 109.502 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.34 -55.32 14.31 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 117.784 -1.566 . . . . 1.3100000000000001 107.199 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -67.39 -19.12 65.36 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.984 -1.462 . . . . 1.02 108.896 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.05 -35.41 56.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 105.991 -1.855 . . . . 1.71 105.991 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -58.86 -53.79 54.37 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 105.781 -1.933 . . . . 1.0800000000000001 105.781 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.6 -67.34 0.27 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 111.746 -2.479 . . . . 1.8400000000000001 109.255 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -53.15 -29.57 32.04 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 113.975 -1.466 . . . . 1.8600000000000001 113.089 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.68 -35.64 72.91 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.516 -1.674 . . . . 1.22 107.719 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -64.67 -36.84 85.56 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.345 -1.724 . . . . 1.7 106.345 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -71.59 -32.69 68.31 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.05 -1.06 . . . . 2.6099999999999999 110.335 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp -89.29 20.67 3.66 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.077 -1.049 . . . . 1.79 110.838 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' B' ' 55' ' ' ARG . 36.5 t70 54.44 72.3 0.47 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 124.423 1.077 . . . . 2.4500000000000002 108.268 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.76 121.43 13.41 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.33 -1.729 . . . . 0.89000000000000001 106.33 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' CG ' HH22 ' B' ' 55' ' ' ARG . 43.4 m-20 -105.3 -68.52 0.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 124.95 1.406 . . . . 2.8300000000000001 108.168 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -44.63 -42.12 7.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.922 1.389 . . . . 2.1499999999999999 110.715 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' B' ' 52' ' ' CYS . 17.8 mt-30 -69.18 -40.25 78.21 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.422 -1.311 . . . . 2.2599999999999998 109.282 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.4 96.43 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.227 -1.389 . . . . 0.65000000000000002 109.285 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -58.7 -63.29 1.34 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.361 -0.936 . . . . 1.6699999999999999 109.635 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.79 -27.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 C-N-CA 118.905 -1.118 . . . . 1.1200000000000001 109.682 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.09 -42.87 93.67 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.871 -1.529 . . . . 0.69999999999999996 106.871 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -66.6 -36.39 82.5 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 106.352 -1.721 . . . . 2.8199999999999998 106.352 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -64.3 -30.92 71.95 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 116.84 -1.944 . . . . 0.77000000000000002 107.935 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.28 -34.89 68.52 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 104.43 -2.433 . . . . 1.22 104.43 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CD2' HH21 ' A' ' 16' ' ' ARG . 63.0 t60 -61.88 -53.76 51.3 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.108 -1.037 . . . . 1.21 110.824 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.82 -38.26 79.75 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 117.879 -1.528 . . . . 1.8600000000000001 110.751 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -65.88 -28.5 69.0 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 115.968 -2.293 . . . . 2.2400000000000002 107.173 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.73 -26.04 59.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 104.119 -2.548 . . . . 0.69999999999999996 104.119 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 40.9 t0 -71.39 -29.61 65.14 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 104.722 -2.325 . . . . 1.45 104.722 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 49' ' ' TYR . 57.2 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 102.462 -3.162 . . . . 2.02 102.462 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 tp -75.65 16.41 0.39 Allowed 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.345 -1.298 . . . . 1.52 109.311 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 70.4 t80 -128.85 -24.39 2.96 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.795 -1.558 . . . . 1.3999999999999999 106.795 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.463 HH21 ' CG ' ' A' ' 47' ' ' GLU . 79.9 mtm180 -103.26 -63.1 1.21 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.322 -1.362 . . . . 2.29 107.322 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 m -59.76 -30.92 69.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 105.107 -2.182 . . . . 2.1099999999999999 105.107 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 49' ' ' TYR . 11.9 p -72.05 -31.85 66.54 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 116.301 -2.159 . . . . 2.4100000000000001 108.383 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.42 -25.86 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.387 -1.338 . . . . 1.5800000000000001 107.387 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.19 -11.96 7.53 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 117.943 -1.503 . . . . 2.0 109.259 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.439 HH11 ' HA ' ' A' ' 55' ' ' ARG . 9.6 tpp180 -113.99 -47.37 2.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.852 -1.536 . . . . 3.6499999999999999 106.852 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 5' ' ' GLU . 7.8 m-30 -72.83 7.83 1.8 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.63 -1.168 . . . . 3.1099999999999999 111.133 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.64 44.17 2.74 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 103.127 -3.989 . . . . 4.8499999999999996 103.127 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 56' ' ' PHE . 7.5 p-10 -85.62 34.79 0.59 Allowed 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.365 -0.917 . . . . 7.1900000000000004 112.712 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.37 162.18 26.64 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 117.259 -1.777 . . . . 8.6199999999999992 107.264 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.25 179.04 46.5 Favored Glycine 0 C--N 1.297 -1.637 0 N-CA-C 106.44 -2.664 . . . . 9.7400000000000002 106.44 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -33.6 5.58 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.599 0.823 . . . . 10.960000000000001 109.682 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -151.46 -52.48 0.13 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.254 -1.758 . . . . 12.6 106.254 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 N--CA 1.49 1.564 0 O-C-N 126.78 2.55 . . . . 12.960000000000001 106.069 -179.027 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtm . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.196 -1.038 . . . . 5.3700000000000001 108.196 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 28.5 m -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.963 -1.495 . . . . 4.0199999999999996 106.963 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -61.5 -27.96 68.96 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.666 -1.605 . . . . 4.9500000000000002 106.666 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -57.23 -40.21 77.09 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 118.499 -1.28 . . . . 4.0899999999999999 107.848 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.456 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 66.3 mt-10 -62.36 -44.76 95.7 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.919 -1.511 . . . . 2.5299999999999998 106.919 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.527 ' HZ2' ' CD ' ' B' ' 61' ' ' GLU . 58.1 mttp -62.28 -23.58 66.79 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 118.066 -1.454 . . . . 3.7799999999999998 110.201 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -73.58 -49.04 28.31 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.261 -1.755 . . . . 1.8200000000000001 106.261 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.224 -1.028 . . . . 0.87 108.224 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.44 -42.23 98.43 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.246 -1.391 . . . . 2.3700000000000001 107.246 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.85 -37.05 85.16 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.045 -1.462 . . . . 2.1499999999999999 109.226 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 87.7 mmm -64.86 -39.86 94.23 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.15 -1.42 . . . . 2.4199999999999999 109.865 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.65 95.0 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.302 -1.359 . . . . 0.67000000000000004 108.542 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' B' ' 49' ' ' TYR . 41.5 ttm180 -64.72 -32.43 74.1 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.348 -1.341 . . . . 3.1499999999999999 107.968 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.16 -49.29 76.44 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.435 -1.706 . . . . 2.71 108.308 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mt -53.84 -43.1 55.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 C-N-CA 118.697 -1.201 . . . . 0.93000000000000005 109.122 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.562 HH21 ' CD2' ' B' ' 42' ' ' HIS . 25.5 ttt85 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.67 -1.612 . . . . 2.6800000000000002 108.827 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -69.38 -33.79 73.57 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.326 -0.95 . . . . 0.71999999999999997 111.252 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.51 -44.84 93.12 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.673 -1.603 . . . . 1.8 106.673 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.456 HG22 ' SG ' ' B' ' 38' ' ' CYS . 25.6 m -63.66 -39.79 95.22 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 113.38 -1.736 . . . . 0.56000000000000005 109.797 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' B' ' 42' ' ' HIS . 67.1 tp -61.59 -58.77 6.78 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 118.282 -1.367 . . . . 1.3100000000000001 110.982 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -59.45 -38.45 80.74 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.257 -1.338 . . . . 1.02 110.746 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' SD ' ' A' ' 11' ' ' MET . 3.5 mm? -69.69 -27.99 65.47 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 116.969 -1.892 . . . . 1.71 109.557 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.2 -46.1 75.87 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 118.195 -1.402 . . . . 1.0800000000000001 107.739 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.428 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 18.2 mt-10 -52.35 -57.43 9.8 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 105.879 -1.897 . . . . 1.8400000000000001 105.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.428 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 36.3 mmtm -59.38 -23.08 62.28 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 112.649 -2.069 . . . . 1.8600000000000001 112.018 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.17 -33.22 65.32 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 116.068 -2.253 . . . . 1.22 105.148 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -65.94 -50.79 63.12 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 117.679 -1.608 . . . . 1.7 107.729 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.39 -33.91 73.14 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.231 -0.895 . . . . 2.6099999999999999 110.793 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 31' ' ' ALA . 74.6 mt -90.01 39.71 0.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.223 -0.899 . . . . 1.79 109.635 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 34.03 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 O-C-N 126.202 2.189 . . . . 2.4500000000000002 114.711 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' B' ' 34' ' ' GLN . . . -108.15 46.39 0.96 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 103.929 -2.619 . . . . 0.89000000000000001 103.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.511 -1.222 . . . . 2.8300000000000001 109.555 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.612 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.0 OUTLIER -59.72 -42.17 92.49 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 105.686 -1.968 . . . . 2.1499999999999999 105.686 179.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.42 ' CG ' ' HB1' ' B' ' 31' ' ' ALA . 76.1 mm-40 -68.59 -22.67 64.44 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 117.447 -1.701 . . . . 2.2599999999999998 108.676 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.92 94.4 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 106.03 -1.841 . . . . 0.65000000000000002 106.03 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -54.06 50.47 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 123.041 1.4 . . . . 1.6699999999999999 109.043 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 57.1 mt -56.6 -30.54 32.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 113.07 -1.877 . . . . 1.1200000000000001 108.297 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' B' ' 19' ' ' THR . 33.7 t -75.86 -26.68 57.34 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.068 -1.053 . . . . 0.69999999999999996 110.163 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' B' ' 42' ' ' HIS . 53.5 mt-10 -68.86 -43.84 74.56 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.5 -2.037 . . . . 2.8199999999999998 105.5 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -58.87 -51.72 68.79 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 117.614 -1.634 . . . . 0.77000000000000002 107.602 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.1 -33.63 69.31 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.118 -0.946 . . . . 1.22 109.612 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.562 ' CD2' HH21 ' B' ' 16' ' ' ARG . 30.1 t60 -59.08 -55.43 35.21 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.273 -1.33 . . . . 1.21 109.929 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 16' ' ' ARG . 16.7 t70 -79.14 -17.69 54.56 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 115.812 -2.355 . . . . 1.8600000000000001 110.021 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.616 -1.994 . . . . 2.2400000000000002 105.616 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.57 64.24 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 103.945 -2.613 . . . . 0.69999999999999996 103.945 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.92 -26.39 36.8 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 117.387 -1.725 . . . . 1.45 107.454 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.511 ' CD ' HH11 ' B' ' 50' ' ' ARG . 46.9 mm-40 -58.9 -35.34 72.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 104.072 -2.566 . . . . 2.02 104.072 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.86 -50.08 58.52 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 117.879 -1.528 . . . . 1.52 107.119 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' B' ' 13' ' ' ARG . 64.7 t80 -49.48 -62.65 1.43 Allowed 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 113.7 -1.591 . . . . 1.3999999999999999 112.402 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.511 HH11 ' CD ' ' B' ' 47' ' ' GLU . 12.1 ptp180 -58.46 -37.53 75.65 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.773 -0.648 . . . . 2.29 110.309 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 73.1 m -66.94 -25.96 66.6 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 117.219 -1.792 . . . . 2.1099999999999999 109.757 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.422 ' HA ' ' CD ' ' A' ' 34' ' ' GLN . 73.1 m -69.44 -48.46 60.84 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.511 -2.403 . . . . 2.4100000000000001 104.511 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.55 -22.8 64.05 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 114.418 -1.265 . . . . 1.5800000000000001 109.51 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.12 -59.07 2.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 117.624 -1.63 . . . . 2.0 110.887 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.4 ttt180 -67.56 -52.29 40.46 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 117.934 -1.507 . . . . 3.6499999999999999 110.409 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.456 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 15.6 m-85 -64.14 -20.01 65.69 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.339 -1.344 . . . . 3.1099999999999999 109.503 -179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.26 19.01 1.91 Allowed Glycine 0 N--CA 1.482 1.712 0 C-N-CA 119.043 -1.551 . . . . 4.8499999999999996 112.367 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' B' ' 60' ' ' GLY . 16.7 t70 -58.14 -56.58 20.19 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.008 -1.479 . . . . 7.1900000000000004 107.008 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -85.49 16.68 3.63 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 113.369 -1.741 . . . . 8.6199999999999992 107.123 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' B' ' 58' ' ' ASP . . . 69.41 23.11 76.57 Favored Glycine 0 C--N 1.298 -1.536 0 N-CA-C 107.885 -2.086 . . . . 9.7400000000000002 107.885 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.527 ' CD ' ' HZ2' ' B' ' 6' ' ' LYS . 4.5 mm-40 51.83 39.43 25.68 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.71 -0.848 . . . . 10.960000000000001 108.71 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -65.21 -37.46 87.36 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 104.912 -2.255 . . . . 12.6 104.912 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.42 ' C ' ' HZ3' ' B' ' 6' ' ' LYS . 42.0 mt . . . . . 0 C--N 1.303 -1.454 0 CA-C-O 113.015 -3.374 . . . . 12.960000000000001 102.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.5 mmm . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 107.965 -1.124 . . . . 5.3700000000000001 107.965 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 m -134.43 168.29 19.2 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 106.5 -1.667 . . . . 4.0199999999999996 106.5 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -88.86 -25.37 22.2 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 117.045 -1.862 . . . . 4.9500000000000002 106.568 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -89.99 13.84 13.77 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 105.658 -1.979 . . . . 4.0899999999999999 105.658 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.452 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 39.3 tt0 -62.31 -65.68 0.65 Allowed 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.13 -1.396 . . . . 2.5299999999999998 110.127 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -54.49 -37.17 64.98 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.216 -1.811 . . . . 3.7799999999999998 107.819 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -59.21 -46.69 87.78 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.622 -1.172 . . . . 1.8200000000000001 109.509 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.68 83.28 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.65 -1.22 . . . . 0.87 109.04 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.09 -23.83 60.58 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 116.763 -1.975 . . . . 2.3700000000000001 108.755 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.22 -27.55 66.47 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 104.947 -2.242 . . . . 2.1499999999999999 104.947 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.5 mtp -80.76 -24.36 38.72 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.13 -1.804 . . . . 2.4199999999999999 106.13 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.54 -30.29 70.57 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.441 -1.688 . . . . 0.67000000000000004 106.441 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -60.24 -32.44 71.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 105.995 -1.854 . . . . 3.1499999999999999 105.995 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -64.83 -36.76 85.36 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.614 -1.634 . . . . 2.71 108.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.56 -40.74 82.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 105.785 -1.932 . . . . 0.93000000000000005 105.785 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.526 ' HG2' ' ND1' ' A' ' 42' ' ' HIS . 9.5 ttt85 -58.0 -50.03 74.79 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 105.73 -1.952 . . . . 2.6800000000000002 105.73 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 m -55.22 -34.55 64.05 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.581 -1.19 . . . . 0.71999999999999997 113.267 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -63.47 -46.87 84.19 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.086 -1.846 . . . . 1.8 106.417 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -63.55 -21.23 66.23 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.544 -2.116 . . . . 0.56000000000000005 109.299 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -69.59 -59.48 2.94 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.845 -2.65 . . . . 1.3100000000000001 103.845 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -21.55 30.1 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 113.675 -1.602 . . . . 1.02 110.415 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.63 -40.21 23.27 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 117.316 -1.754 . . . . 1.71 107.093 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.2 -59.71 4.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.224 -1.353 . . . . 1.0800000000000001 110.601 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 2.8 pt-20 -55.1 -49.29 72.09 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.901 -1.12 . . . . 1.8400000000000001 111.788 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HZ3' ' CD ' ' A' ' 24' ' ' GLU . 9.6 mmtm -58.97 -41.95 88.77 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.527 -1.269 . . . . 1.8600000000000001 111.675 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.72 -40.79 98.3 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 117.368 -1.733 . . . . 1.22 107.64 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -57.1 -46.6 82.46 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.3 -1.318 . . . . 1.7 108.947 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.0 -26.14 67.4 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 113.919 -1.491 . . . . 2.6099999999999999 110.653 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.99 25.0 2.25 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.852 -1.139 . . . . 1.79 108.26 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 51.97 18.72 0.85 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.729 1.268 . . . . 2.4500000000000002 110.31 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB1' ' NE2' ' A' ' 34' ' ' GLN . . . -96.5 60.54 1.9 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 104.775 -2.306 . . . . 0.89000000000000001 104.775 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.83 -25.19 62.73 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 117.321 -1.752 . . . . 2.8300000000000001 110.121 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 2.3 mp0 -58.91 -50.83 72.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.039 -2.208 . . . . 2.1499999999999999 105.039 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.5 ' NE2' ' HB1' ' A' ' 31' ' ' ALA . 52.6 mt-30 -67.44 -25.98 66.18 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 110.953 -2.84 . . . . 2.2599999999999998 108.407 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.24 79.84 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 117.011 -1.876 . . . . 0.65000000000000002 107.063 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.27 -57.21 13.19 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 118.483 -1.287 . . . . 1.6699999999999999 109.793 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.69 -32.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 114.061 -1.427 . . . . 1.1200000000000001 108.661 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 117.805 -1.558 . . . . 0.69999999999999996 110.73 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.69 -48.03 23.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 102.119 -3.289 . . . . 2.8199999999999998 102.119 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -52.18 -33.83 42.44 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 118.052 -1.459 . . . . 0.77000000000000002 109.247 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 tp -75.86 -36.6 59.53 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.309 -1.737 . . . . 1.22 106.309 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.526 ' ND1' ' HG2' ' A' ' 16' ' ' ARG . 12.7 t60 -58.85 -63.75 1.18 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.635 -1.62 . . . . 1.21 108.629 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 18.1 t70 -68.95 -18.55 64.1 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 117.392 -1.723 . . . . 1.8600000000000001 111.376 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -44.63 89.58 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 104.657 -2.349 . . . . 2.2400000000000002 104.657 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.45 -26.32 68.39 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.538 -1.265 . . . . 0.69999999999999996 108.142 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' CB ' ' NH1' ' A' ' 16' ' ' ARG . 15.0 t70 -78.56 -31.49 47.38 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 117.51 -1.676 . . . . 1.45 108.444 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.37 -42.59 98.87 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 117.83 -1.548 . . . . 2.02 112.04 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -69.61 -4.08 17.76 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 116.477 -2.089 . . . . 1.52 110.41 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.43 ' O ' ' CG ' ' A' ' 49' ' ' TYR . 6.9 t80 -115.02 -6.09 12.52 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 124.716 1.26 . . . . 1.3999999999999999 108.438 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -108.94 -91.73 0.44 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.005 -0.998 . . . . 2.29 113.376 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -53.91 -40.24 66.51 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 118.306 -1.358 . . . . 2.1099999999999999 108.801 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.95 -44.19 85.75 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 117.073 -1.851 . . . . 2.4100000000000001 107.412 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 26.5 tp -55.56 -24.27 31.54 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 116.535 -2.066 . . . . 1.5800000000000001 112.014 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' LEU . . . -43.03 -43.91 4.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 125.13 1.519 . . . . 2.0 107.154 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HB3' ' H ' ' A' ' 56' ' ' PHE . 11.5 ttp180 -112.22 -72.16 0.72 Allowed 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 103.562 -2.755 . . . . 3.6499999999999999 103.562 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CE2' ' HG3' ' A' ' 5' ' ' GLU . 40.7 t80 155.02 59.33 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 102.072 -3.307 . . . . 3.1099999999999999 102.072 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.37 141.71 12.08 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 106.794 -2.522 . . . . 4.8499999999999996 106.794 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -148.43 -22.29 0.33 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 114.219 1.192 . . . . 7.1900000000000004 114.219 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.93 120.3 16.31 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 116.458 -2.097 . . . . 8.6199999999999992 112.205 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.66 -85.62 0.09 OUTLIER Glycine 0 N--CA 1.481 1.663 0 C-N-CA 119.477 -1.344 . . . . 9.7400000000000002 111.525 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 72.82 167.33 0.31 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 105.594 -2.002 . . . . 10.960000000000001 105.594 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.39 136.94 49.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.662 -1.607 . . . . 12.6 106.662 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 63' ' ' LEU . 6.2 mp . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 102.229 -3.248 . . . . 12.960000000000001 102.229 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 mtp . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 104.973 -2.232 . . . . 5.3700000000000001 104.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.56 -171.98 3.79 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 103.908 -2.627 . . . . 4.0199999999999996 103.908 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -89.85 -61.34 1.71 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 118.556 -1.258 . . . . 4.9500000000000002 110.431 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.496 ' H ' ' CD ' ' B' ' 4' ' ' GLN . 0.1 OUTLIER -46.27 -44.35 16.39 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.489 -0.778 . . . . 4.0899999999999999 112.719 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -69.68 -32.25 70.77 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 117.581 -1.648 . . . . 2.5299999999999998 110.712 -179.397 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -32.33 73.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 105.727 -1.953 . . . . 3.7799999999999998 105.727 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -64.95 -36.82 85.61 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 106.548 -1.649 . . . . 1.8200000000000001 106.548 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.2 99.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.655 -1.618 . . . . 0.87 107.477 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' B' ' 49' ' ' TYR . 2.6 mm? -61.21 -34.52 75.22 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.595 -1.242 . . . . 2.3700000000000001 108.618 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -63.58 -31.35 72.49 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 117.945 -1.502 . . . . 2.1499999999999999 109.266 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 43.3 tpp -66.05 -41.36 90.95 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 117.427 -1.709 . . . . 2.4199999999999999 107.661 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.83 80.88 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.545 -1.28 . . . . 0.67000000000000004 107.545 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.404 HH11 ' C ' ' B' ' 13' ' ' ARG . 44.4 ttp85 -63.4 -32.67 74.16 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 113.712 -1.586 . . . . 3.1499999999999999 107.982 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.12 -39.52 86.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 118.23 -1.388 . . . . 2.71 109.736 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.57 -48.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 105.744 -1.947 . . . . 0.93000000000000005 105.744 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.497 HH12 ' HB2' ' B' ' 46' ' ' ASP . 17.0 ttm-85 -50.18 -42.91 52.07 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.26 -1.337 . . . . 2.6800000000000002 109.497 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -57.05 -50.96 71.14 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.261 -1.376 . . . . 0.71999999999999997 109.757 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.98 -35.2 77.8 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 117.525 -1.67 . . . . 1.8 110.534 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -55.22 -47.8 74.83 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 118.346 -1.341 . . . . 0.56000000000000005 107.812 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.25 -36.09 80.97 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.247 -1.381 . . . . 1.3100000000000001 107.981 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -62.41 -27.2 68.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 118.193 -1.403 . . . . 1.02 108.602 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.05 -21.87 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.298 -1.361 . . . . 1.71 109.588 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.41 -48.59 74.14 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 105.138 -2.171 . . . . 1.0800000000000001 105.138 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.491 ' CD ' ' HZ1' ' B' ' 25' ' ' LYS . 15.2 tt0 -46.78 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 110.943 -2.844 . . . . 1.8400000000000001 109.474 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HZ1' ' CD ' ' B' ' 24' ' ' GLU . 55.9 mttp -55.59 -59.09 5.33 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 111.381 -2.645 . . . . 1.8600000000000001 113.077 -176.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -51.03 -31.06 17.13 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.068 -1.053 . . . . 1.22 111.282 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -74.26 -56.73 4.55 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 117.735 -1.586 . . . . 1.7 110.0 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' B' ' 30' ' ' ASP . 46.1 mm-40 -62.25 -13.41 27.8 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.205 -0.998 . . . . 2.6099999999999999 110.152 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -82.86 20.64 1.14 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.45 -0.9 . . . . 1.79 108.583 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' B' ' 28' ' ' GLU . 16.3 t70 55.28 75.49 0.31 Allowed 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.507 1.13 . . . . 2.4500000000000002 109.039 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.53 71.11 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 112.982 -1.917 . . . . 0.89000000000000001 106.805 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -58.76 -29.89 67.11 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.392 -1.336 . . . . 2.8300000000000001 107.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.74 -62.62 1.73 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 105.594 -2.002 . . . . 2.1499999999999999 105.594 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.441 HE21 ' HA ' ' B' ' 34' ' ' GLN . 3.4 mm-40 -55.33 -23.7 25.22 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.437 -1.256 . . . . 2.2599999999999998 110.165 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.69 58.08 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.569 -1.653 . . . . 0.65000000000000002 108.529 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.43 -63.65 1.05 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 117.968 -1.493 . . . . 1.6699999999999999 108.665 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 35.8 mm -44.54 -37.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 125.691 1.869 . . . . 1.1200000000000001 109.828 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 40.3 t -60.46 -52.91 63.18 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 117.169 -1.812 . . . . 0.69999999999999996 107.252 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' B' ' 42' ' ' HIS . 28.0 mm-40 -75.87 -4.59 41.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 115.915 -2.314 . . . . 2.8199999999999998 112.115 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -74.64 -32.86 62.4 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 100.825 -3.768 . . . . 0.77000000000000002 100.825 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.6 tp -67.08 -45.71 76.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 105.186 -2.153 . . . . 1.22 105.186 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.408 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 4.2 t60 -50.23 -56.61 10.38 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 113.964 -1.471 . . . . 1.21 109.248 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.33 -53.81 48.83 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.719 -1.128 . . . . 1.8600000000000001 112.04 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.04 -27.4 65.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.556 -1.202 . . . . 2.2400000000000002 110.587 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.14 67.12 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 117.36 -1.736 . . . . 0.69999999999999996 108.154 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.497 ' HB2' HH12 ' B' ' 16' ' ' ARG . 32.5 t0 -72.09 -28.53 63.37 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 116.92 -1.912 . . . . 1.45 107.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.87 -43.53 88.08 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 116.464 -2.094 . . . . 2.02 105.666 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -20.51 66.13 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.065 -1.425 . . . . 1.52 107.63 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.411 ' HA ' ' CD1' ' B' ' 9' ' ' LEU . 79.7 t80 -97.71 -89.58 0.29 Allowed 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 118.106 -1.438 . . . . 1.3999999999999999 109.325 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -39.33 -60.54 0.9 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 114.455 1.28 . . . . 2.29 114.455 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.4 m -59.12 -54.37 47.79 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 117.704 -1.598 . . . . 2.1099999999999999 108.456 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' B' ' 57' ' ' GLY . 58.4 m -71.79 3.27 4.32 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 115.826 -2.35 . . . . 2.4100000000000001 111.052 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.0 -42.42 11.16 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 115.499 -2.48 . . . . 1.5800000000000001 106.423 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.13 -42.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 125.233 1.583 . . . . 2.0 111.399 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' B' ' 57' ' ' GLY . 8.5 ttp180 -117.8 -7.81 10.92 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 115.105 -0.952 . . . . 3.6499999999999999 109.654 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 26.2 t80 63.55 51.95 2.41 Favored 'General case' 0 N--CA 1.485 1.311 1 N-CA-C 90.634 -7.543 . . . . 3.1099999999999999 90.634 -174.224 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' B' ' 55' ' ' ARG . . . 162.18 158.65 9.69 Favored Glycine 0 C--N 1.292 -1.908 1 N-CA-C 102.586 -4.205 . . . . 4.8499999999999996 102.586 -179.171 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -38.85 142.41 0.21 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 125.293 1.231 . . . . 7.1900000000000004 112.833 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' B' ' 60' ' ' GLY . 21.2 t70 -92.41 -106.78 0.11 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 123.928 0.768 . . . . 8.6199999999999992 111.631 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' B' ' 59' ' ' ASP . . . -70.03 -12.34 68.22 Favored Glycine 0 N--CA 1.478 1.479 0 C-N-CA 119.585 -1.293 . . . . 9.7400000000000002 111.227 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.53 ' H ' ' CD ' ' B' ' 61' ' ' GLU . 4.7 mp0 -64.1 -42.29 96.94 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.019 -2.215 . . . . 10.960000000000001 105.019 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.497 ' N ' HD22 ' B' ' 62' ' ' ASN . 0.0 OUTLIER 173.24 158.83 0.12 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 104.174 -2.528 . . . . 12.6 104.174 179.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.41 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.7 mp . . . . . 0 C--N 1.301 -1.523 0 N-CA-C 104.431 -2.433 . . . . 12.960000000000001 104.431 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 108.893 -0.78 . . . . 5.3700000000000001 108.893 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m -133.8 160.39 37.75 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.441 -1.689 . . . . 4.0199999999999996 106.441 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -46.49 84.6 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 106.103 -1.814 . . . . 4.9500000000000002 106.103 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -51.22 -46.72 62.33 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.302 -0.959 . . . . 4.0899999999999999 110.459 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 81.1 mt-10 -57.75 -44.02 85.79 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 124.444 1.09 . . . . 2.5299999999999998 110.235 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.06 -33.43 74.37 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.605 -1.257 . . . . 3.7799999999999998 107.605 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 m -74.15 -33.29 63.45 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.249 -1.38 . . . . 1.8200000000000001 107.464 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.55 70.71 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.298 -0.961 . . . . 0.87 109.827 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 mt -74.01 -50.92 17.63 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.825 -1.55 . . . . 2.3700000000000001 108.464 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -56.46 -34.53 66.97 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.134 -1.432 . . . . 2.1499999999999999 107.134 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.579 ' SD ' HD13 ' B' ' 22' ' ' LEU . 12.4 tmm? -69.08 -46.66 67.22 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.462 -1.245 . . . . 2.4199999999999999 109.894 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.49 -30.82 71.55 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.653 -1.219 . . . . 0.67000000000000004 108.402 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -70.99 -32.95 69.93 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 105.117 -2.179 . . . . 3.1499999999999999 105.117 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -67.33 -44.02 80.15 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.102 -1.439 . . . . 2.71 108.483 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.3 -40.45 81.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 106.024 -1.843 . . . . 0.93000000000000005 106.024 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.82 -33.33 75.44 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 117.428 -1.709 . . . . 2.6800000000000002 107.982 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 m -66.05 -35.66 81.14 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 106.809 -1.552 . . . . 0.71999999999999997 106.809 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.02 -34.67 73.57 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.512 -1.675 . . . . 1.8 107.91 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.8 m -64.84 -24.86 67.67 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 117.946 -1.502 . . . . 0.56000000000000005 107.203 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -48.88 56.04 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 102.035 -3.32 . . . . 1.3100000000000001 102.035 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -57.11 -22.85 42.85 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 114.43 -1.259 . . . . 1.02 109.765 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 83.6 mt -85.02 -38.51 19.12 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.264 -1.375 . . . . 1.71 107.649 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.58 -35.0 75.01 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.154 -1.795 . . . . 1.0800000000000001 106.154 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -61.82 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 112.973 -1.921 . . . . 1.8400000000000001 107.456 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -45.74 -40.92 10.08 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.31 -1.768 . . . . 1.8600000000000001 114.41 -176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.57 -42.85 86.42 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 116.721 -1.992 . . . . 1.22 107.848 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -66.07 -55.73 15.07 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 117.706 -1.598 . . . . 1.7 112.573 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.56 -33.2 73.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 117.858 -1.537 . . . . 2.6099999999999999 111.416 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.7 mp -86.19 21.67 1.97 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.69 -1.604 . . . . 1.79 111.695 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.1 t70 54.39 75.22 0.3 Allowed 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.518 1.152 . . . . 2.4500000000000002 110.025 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -146.33 55.45 1.15 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 101.966 -3.346 . . . . 0.89000000000000001 101.966 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -52.36 -49.5 64.22 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 112.442 -2.163 . . . . 2.8300000000000001 113.325 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.31 -32.77 73.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 117.023 -1.871 . . . . 2.1499999999999999 108.767 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.3 -25.5 62.46 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 117.071 -1.851 . . . . 2.2599999999999998 106.079 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -53.35 31.28 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.076 -1.824 . . . . 0.65000000000000002 106.076 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -45.12 -56.0 5.16 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 122.68 1.229 . . . . 1.6699999999999999 110.367 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.04 -39.1 77.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-N 113.774 -1.557 . . . . 1.1200000000000001 109.317 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 22' ' ' LEU . 41.2 t -68.23 -30.83 69.98 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.178 -1.009 . . . . 0.69999999999999996 112.221 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -72.75 -42.78 63.68 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.489 -1.671 . . . . 2.8199999999999998 106.489 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 m -63.29 -30.94 71.98 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.882 -1.525 . . . . 0.77000000000000002 106.882 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -74.43 -29.56 61.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.11 -1.441 . . . . 1.22 107.11 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -64.32 -49.11 73.05 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.042 -1.436 . . . . 1.21 108.322 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.2 -42.58 93.42 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 118.128 -1.429 . . . . 1.8600000000000001 107.939 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -58.68 -31.74 68.48 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 113.733 -1.576 . . . . 2.2400000000000002 109.265 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.43 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.531 -2.026 . . . . 0.69999999999999996 105.531 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -75.37 -20.99 58.66 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 117.241 -1.784 . . . . 1.45 106.322 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 13.0 tp10 -72.06 -39.19 69.23 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 104.548 -2.39 . . . . 2.02 104.548 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.8 tp -63.97 -12.19 35.42 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.818 -1.549 . . . . 1.52 106.818 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -97.4 -31.45 12.37 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.522 -1.658 . . . . 1.3999999999999999 106.522 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 47' ' ' GLU . 31.3 mtm-85 -77.59 -63.44 1.38 Allowed 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 112.834 0.679 . . . . 2.29 112.834 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 p -54.36 -41.08 68.73 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 118.425 -1.31 . . . . 2.1099999999999999 109.613 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 96.9 m -62.65 -45.69 91.67 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 117.566 -1.654 . . . . 2.4100000000000001 108.137 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.39 -24.7 66.68 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 118.486 -1.286 . . . . 1.5800000000000001 109.089 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.48 -40.63 76.95 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 116.884 -1.926 . . . . 2.0 107.128 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -79.29 -20.32 48.3 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 117.445 -1.702 . . . . 3.6499999999999999 111.22 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 52' ' ' CYS . 16.8 m-30 -89.5 -22.43 22.46 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 118.418 -1.313 . . . . 3.1099999999999999 109.428 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.44 72.45 1.3 Allowed Glycine 0 N--CA 1.48 1.572 0 N-CA-C 105.654 -2.978 . . . . 4.8499999999999996 105.654 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.3 135.82 57.77 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.121 -1.807 . . . . 7.1900000000000004 106.121 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HB3' ' H ' ' A' ' 63' ' ' LEU . 13.2 t70 -76.57 -42.58 42.21 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 102.956 -2.979 . . . . 8.6199999999999992 102.956 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 85.46 -50.42 4.34 Favored Glycine 0 N--CA 1.479 1.504 0 CA-C-N 113.082 -1.872 . . . . 9.7400000000000002 111.282 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -82.22 7.25 14.23 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 118.628 -1.229 . . . . 10.960000000000001 110.87 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.62 -40.78 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.419 -1.697 . . . . 12.6 106.419 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' H ' ' HB3' ' A' ' 59' ' ' ASP . 61.7 mt . . . . . 0 C--N 1.301 -1.524 0 N-CA-C 101.945 -3.354 . . . . 12.960000000000001 101.945 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.592 ' H2 ' ' CG ' ' B' ' 58' ' ' ASP . 66.6 mmm . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.033 -1.099 . . . . 5.3700000000000001 108.033 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 40.8 p -152.25 -175.59 5.32 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.845 -1.539 . . . . 4.0199999999999996 106.845 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -8.48 58.19 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.045 -1.062 . . . . 4.9500000000000002 113.14 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.63 -44.84 93.33 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 106.498 -1.668 . . . . 4.0899999999999999 106.498 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.552 ' HB3' ' CG ' ' B' ' 56' ' ' PHE . 32.8 mt-10 -57.18 -47.9 80.07 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 111.949 -2.387 . . . . 2.5299999999999998 108.733 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.62 -35.2 73.88 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.259 -1.337 . . . . 3.7799999999999998 108.982 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -63.53 -44.4 94.37 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.138 -1.43 . . . . 1.8200000000000001 107.138 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.93 72.27 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.689 -1.204 . . . . 0.87 108.965 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.81 -44.84 90.93 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.383 -1.71 . . . . 2.3700000000000001 106.383 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -66.75 -31.08 71.49 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 114.251 -1.341 . . . . 2.1499999999999999 110.357 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 37.8 mmt -63.09 -41.72 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.503 -1.679 . . . . 2.4199999999999999 108.343 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.52 92.86 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.754 -1.578 . . . . 0.67000000000000004 107.453 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -62.76 -30.03 71.13 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 118.638 -1.225 . . . . 3.1499999999999999 109.499 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.21 -55.72 25.78 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 118.291 -1.364 . . . . 2.71 109.216 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.15 -31.95 27.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 112.881 -1.963 . . . . 0.93000000000000005 108.056 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.575 ' CZ ' ' HB2' ' B' ' 16' ' ' ARG . 23.9 ttm105 -65.53 -47.98 74.05 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 118.378 -1.329 . . . . 2.6800000000000002 110.038 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -54.64 -47.41 73.54 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.085 -0.961 . . . . 0.71999999999999997 111.041 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -66.41 -43.94 84.34 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 115.523 -2.471 . . . . 1.8 109.198 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -54.1 -33.71 58.34 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.123 -1.031 . . . . 0.56000000000000005 109.867 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.97 -56.53 19.98 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.155 -1.795 . . . . 1.3100000000000001 106.155 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -61.95 -26.78 68.4 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.169 -1.012 . . . . 1.02 111.046 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.579 HD13 ' SD ' ' A' ' 11' ' ' MET . 66.5 mt -82.58 -19.23 38.88 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.477 -1.289 . . . . 1.71 109.584 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 23' ' ' LEU . 3.1 tm? -55.07 -47.81 74.38 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.005 -2.591 . . . . 1.0800000000000001 104.005 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.501 ' HA ' ' ND2' ' B' ' 27' ' ' ASN . 35.0 tt0 -56.96 -42.65 80.53 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 112.552 -2.113 . . . . 1.8400000000000001 108.099 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.423 ' N ' ' HZ3' ' B' ' 25' ' ' LYS . 6.4 mmtm -62.36 -30.17 70.99 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 117.353 -1.739 . . . . 1.8600000000000001 110.756 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 26' ' ' LEU . 4.2 mm? -70.74 -43.95 67.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 115.796 -2.362 . . . . 1.22 106.827 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.501 ' ND2' ' HA ' ' B' ' 24' ' ' GLU . 7.2 p30 -75.81 -11.44 59.98 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 117.8 -1.56 . . . . 1.7 109.795 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' B' ' 30' ' ' ASP . 42.2 tt0 -71.93 -46.59 57.05 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 103.686 -2.709 . . . . 2.6099999999999999 103.686 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' B' ' 31' ' ' ALA . 39.0 mt -89.99 40.04 0.99 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.44 -1.709 . . . . 1.79 107.196 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' B' ' 28' ' ' GLU . 5.1 p-10 34.21 21.03 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 126.809 2.568 . . . . 2.4500000000000002 114.585 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 29' ' ' LEU . . . -91.69 63.99 4.78 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 103.318 -2.845 . . . . 0.89000000000000001 103.318 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.37 -27.28 68.45 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.021 -1.445 . . . . 2.8300000000000001 108.919 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' B' ' 33' ' ' GLU . 1.4 mp0 -63.92 -50.17 69.77 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 104.732 -2.322 . . . . 2.1499999999999999 104.732 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.463 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -69.18 -14.67 63.11 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 116.341 -2.144 . . . . 2.2599999999999998 109.069 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.94 69.3 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.209 -2.145 . . . . 0.65000000000000002 105.209 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.39 -47.35 84.17 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 117.843 -1.543 . . . . 1.6699999999999999 108.737 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.05 -33.61 43.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 113.918 -1.492 . . . . 1.1200000000000001 107.864 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 49.0 t -66.74 -38.58 86.93 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.167 -1.79 . . . . 0.69999999999999996 106.167 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.56 -19.29 60.39 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.177 -1.809 . . . . 2.8199999999999998 109.272 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -68.73 -37.46 79.47 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 101.846 -3.39 . . . . 0.77000000000000002 101.846 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.03 -40.06 87.14 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 106.636 -1.616 . . . . 1.22 106.636 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -53.64 -59.94 3.95 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.52 -0.764 . . . . 1.21 110.039 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.76 -44.73 84.99 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.893 1.071 . . . . 1.8600000000000001 113.893 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.24 -23.51 65.72 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 117.482 -1.687 . . . . 2.2400000000000002 108.898 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.3 -24.0 46.89 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 103.629 -2.73 . . . . 0.69999999999999996 103.629 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.535 ' HA ' ' CZ ' ' B' ' 16' ' ' ARG . 8.3 t70 -80.0 -18.69 49.61 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 105.767 -1.938 . . . . 1.45 105.767 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' B' ' 49' ' ' TYR . 19.0 mm-40 -65.58 -26.56 67.91 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 104.459 -2.422 . . . . 2.02 104.459 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -83.82 38.48 0.64 Allowed 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.109 -1.812 . . . . 1.52 106.109 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' B' ' 47' ' ' GLU . 30.3 t80 -148.58 -43.94 0.15 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 100.975 -3.713 . . . . 1.3999999999999999 100.975 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.516 ' NH1' ' HB3' ' B' ' 46' ' ' ASP . 41.4 mtm-85 -74.55 -70.01 0.43 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 105.866 -1.901 . . . . 2.29 105.866 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.8 m -57.29 -38.75 74.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.433 -1.258 . . . . 2.1099999999999999 108.264 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 65.4 m -63.37 -35.83 81.71 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 116.206 -2.198 . . . . 2.4100000000000001 109.972 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -71.25 -23.22 61.95 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 118.172 -1.411 . . . . 1.5800000000000001 107.973 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.59 69.37 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.129 -1.828 . . . . 2.0 108.538 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -101.48 -29.49 11.96 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.323 -1.351 . . . . 3.6499999999999999 108.945 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.552 ' CG ' ' HB3' ' B' ' 5' ' ' GLU . 13.8 m-30 -91.73 13.96 16.68 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 115.513 -0.767 . . . . 3.1099999999999999 109.883 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.53 39.18 2.79 Favored Glycine 0 N--CA 1.485 1.906 0 N-CA-C 109.064 -1.614 . . . . 4.8499999999999996 109.064 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.592 ' CG ' ' H2 ' ' B' ' 1' ' ' MET . 6.8 p-10 -104.69 -174.38 2.52 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 103.881 -2.637 . . . . 7.1900000000000004 103.881 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -160.63 142.8 12.67 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 104.218 -2.512 . . . . 8.6199999999999992 104.218 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.79 21.25 0.2 Allowed Glycine 0 C--N 1.29 -2.017 0 N-CA-C 104.494 -3.442 . . . . 9.7400000000000002 104.494 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.24 -9.34 1.13 Allowed 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.151 -1.02 . . . . 10.960000000000001 111.186 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' B' ' 63' ' ' LEU . 3.8 t30 -71.52 156.76 39.06 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 117.15 -1.82 . . . . 12.6 106.613 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.444 ' N ' ' ND2' ' B' ' 62' ' ' ASN . 65.8 tp . . . . . 0 C--N 1.303 -1.416 0 N-CA-C 103.979 -2.6 . . . . 12.960000000000001 103.979 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mtp . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 104.46 -2.422 . . . . 5.3700000000000001 104.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.489 ' H ' ' CD ' ' A' ' 5' ' ' GLU 0.25 0.0 OUTLIER -146.03 -148.31 0.24 Allowed 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 104.304 -2.48 . . . . 4.0199999999999996 104.304 -178.397 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -90.05 -91.59 0.14 Allowed 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.113 -1.035 . . . . 4.9500000000000002 111.027 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -80.67 17.83 1.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 113.353 0.872 . . . . 4.0899999999999999 113.353 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 2' ' ' THR . 7.3 pm0 -71.94 -35.34 69.58 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 103.833 -2.654 . . . . 2.5299999999999998 103.833 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -61.95 -38.07 87.1 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.183 -1.414 . . . . 3.7799999999999998 107.183 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 m -56.98 -44.07 82.33 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 118.65 -1.22 . . . . 1.8200000000000001 109.099 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -57.52 11.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.874 -1.53 . . . . 0.87 109.766 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mp -66.41 -12.81 59.07 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.666 -1.152 . . . . 2.3700000000000001 111.677 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 117.562 -1.655 . . . . 2.1499999999999999 106.753 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmm -68.31 -41.16 81.27 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 105.98 -1.859 . . . . 2.4199999999999999 105.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.15 73.62 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.669 -1.212 . . . . 0.67000000000000004 108.544 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 36.4 ttp180 -62.17 -43.77 98.08 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 106.175 -1.787 . . . . 3.1499999999999999 106.175 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.44 ' CE1' ' NH2' ' A' ' 13' ' ' ARG . 23.5 m-85 -62.04 -37.44 84.96 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 117.268 -1.773 . . . . 2.71 108.851 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -59.6 -41.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 C-N-CA 116.859 -1.936 . . . . 0.93000000000000005 107.439 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.558 HH21 ' CG ' ' A' ' 42' ' ' HIS . 22.8 ttt85 -61.14 -36.63 80.28 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 117.642 -1.623 . . . . 2.6800000000000002 107.588 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -64.42 -40.5 95.89 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.289 -1.364 . . . . 0.71999999999999997 109.337 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.35 -33.01 74.33 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.054 -1.459 . . . . 1.8 108.322 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.7 m -64.82 -28.18 69.39 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.012 -1.477 . . . . 0.56000000000000005 107.012 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.72 -51.44 64.96 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 103.308 -2.849 . . . . 1.3100000000000001 103.308 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 m -53.11 -35.25 59.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.211 -1.396 . . . . 1.02 110.021 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.08 -45.03 90.52 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 116.726 -1.989 . . . . 1.71 107.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.29 -48.83 45.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 124.321 1.013 . . . . 1.0800000000000001 108.486 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 78.4 mt-10 -51.96 -68.08 0.2 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.816 -1.538 . . . . 1.8400000000000001 110.696 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -49.43 -40.64 37.39 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 113.925 -1.488 . . . . 1.8600000000000001 111.178 -177.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.36 -39.21 92.03 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 118.471 -1.292 . . . . 1.22 110.102 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.1 -44.66 83.74 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 117.748 -1.581 . . . . 1.7 108.519 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.13 -46.2 86.03 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.241 -1.345 . . . . 2.6099999999999999 111.668 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 29' ' ' LEU . 10.1 mp -89.71 24.4 2.36 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 118.719 -1.192 . . . . 1.79 112.455 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.8 t0 48.44 70.72 0.42 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 122.92 1.343 . . . . 2.4500000000000002 111.598 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.73 60.8 1.69 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 102.377 -3.194 . . . . 0.89000000000000001 102.377 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.86 -47.54 84.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.894 -1.503 . . . . 2.8300000000000001 113.076 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -40.34 85.29 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 117.091 -1.844 . . . . 2.1499999999999999 109.111 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -72.9 -22.41 60.75 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 116.978 -1.889 . . . . 2.2599999999999998 107.382 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.68 78.23 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 105.662 -1.977 . . . . 0.65000000000000002 105.662 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.66 -53.76 53.9 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.596 -1.242 . . . . 1.6699999999999999 110.514 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.71 -32.51 42.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 117.965 -1.494 . . . . 1.1200000000000001 107.268 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.45 -29.64 65.1 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 117.674 -1.61 . . . . 0.69999999999999996 109.393 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.2 -53.4 9.9 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.053 0.93 . . . . 2.8199999999999998 109.277 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 p -56.74 -34.03 67.14 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 118.279 -1.368 . . . . 0.77000000000000002 107.607 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -75.13 -35.32 61.7 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 118.84 -1.144 . . . . 1.22 108.249 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CG ' HH21 ' A' ' 16' ' ' ARG . 1.3 t60 -51.25 -46.18 62.27 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 113.86 -1.518 . . . . 1.21 107.813 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' CG ' HH22 ' A' ' 16' ' ' ARG . 4.3 m-20 -90.92 -21.3 21.44 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.997 -1.081 . . . . 1.8600000000000001 112.32 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.97 -39.68 94.68 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.044 -1.836 . . . . 2.2400000000000002 106.044 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.63 -15.06 63.12 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 113.451 -1.704 . . . . 0.69999999999999996 107.77 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 10.3 t70 -85.05 -28.59 25.57 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 117.848 -1.541 . . . . 1.45 107.239 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.12 -48.39 81.84 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 116.22 -2.192 . . . . 2.02 108.584 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.585 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 4.2 pp -67.03 -9.36 38.27 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 117.472 -1.691 . . . . 1.52 109.832 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -94.5 -77.57 0.46 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.25 -0.887 . . . . 1.3999999999999999 109.094 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -68.74 -55.03 12.64 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 115.748 1.759 . . . . 2.29 115.748 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 m -50.18 -45.91 53.87 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.179 -1.408 . . . . 2.1099999999999999 108.839 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' A' ' 48' ' ' LEU . 99.7 m -65.24 -48.63 72.62 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 117.876 -1.529 . . . . 2.4100000000000001 107.959 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 tp -48.81 -21.61 0.66 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.743 -0.783 . . . . 1.5800000000000001 111.787 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.5 -55.75 17.23 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 104.859 -2.275 . . . . 2.0 104.859 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 57' ' ' GLY . 63.7 ttt-85 -90.88 -75.4 0.47 Allowed 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 103.029 -2.952 . . . . 3.6499999999999999 103.029 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 5' ' ' GLU . 52.9 t80 154.39 66.13 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.76 1 N-CA-C 97.617 -4.957 . . . . 3.1099999999999999 97.617 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA3' ' NE2' ' B' ' 34' ' ' GLN . . . 48.07 -143.97 6.63 Favored Glycine 0 N--CA 1.481 1.651 0 N-CA-C 108.355 -1.898 . . . . 4.8499999999999996 108.355 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' B' ' 33' ' ' GLU . 0.3 OUTLIER 21.39 -159.64 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 128.745 3.262 . . . . 7.1900000000000004 118.298 178.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' CG ' ' H ' ' A' ' 60' ' ' GLY . 18.0 t0 -163.0 -167.63 1.55 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 102.552 -3.129 . . . . 8.6199999999999992 102.552 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.556 ' H ' ' CG ' ' A' ' 59' ' ' ASP . . . 141.51 -16.35 2.68 Favored Glycine 0 C--N 1.297 -1.594 0 N-CA-C 104.474 -3.451 . . . . 9.7400000000000002 104.474 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 61' ' ' GLU . 16.9 mp0 -93.6 -32.16 14.22 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.024 -1.473 . . . . 10.960000000000001 107.024 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' N ' ' A' ' 63' ' ' LEU . 1.9 t30 -81.99 155.49 25.16 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.778 -1.934 . . . . 12.6 105.778 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' N ' ' ND2' ' A' ' 62' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.302 -1.5 0 CA-C-O 114.365 -2.731 . . . . 12.960000000000001 107.545 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.409 ' H2 ' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 103.518 -2.771 . . . . 5.3700000000000001 103.518 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.544 ' H ' ' CD ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -139.65 -179.88 6.17 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 104.317 -2.475 . . . . 4.0199999999999996 104.317 -178.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -90.06 -28.39 19.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 105.575 -2.009 . . . . 4.9500000000000002 105.575 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -44.72 -55.47 5.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 124.227 0.954 . . . . 4.0899999999999999 111.416 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' B' ' 56' ' ' PHE . 8.7 pt-20 -53.44 -41.24 65.88 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 114.285 -1.325 . . . . 2.5299999999999998 110.287 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -63.29 -38.25 90.41 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.4 -1.333 . . . . 3.7799999999999998 107.4 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -63.51 -33.33 75.33 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 114.963 -1.017 . . . . 1.8200000000000001 108.375 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.6 93.33 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 105.601 -2.0 . . . . 0.87 105.601 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.18 -28.7 68.97 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.47 -2.092 . . . . 2.3700000000000001 109.403 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.38 -31.66 71.56 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 117.253 -1.779 . . . . 2.1499999999999999 107.184 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 52.8 tpp -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.222 -1.77 . . . . 2.4199999999999999 106.222 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.07 -34.14 71.61 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.37 -1.332 . . . . 0.67000000000000004 109.584 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.426 ' NH1' ' CD2' ' B' ' 49' ' ' TYR . 0.3 OUTLIER -64.43 -39.92 94.75 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.112 -1.435 . . . . 3.1499999999999999 107.504 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 -65.67 -42.24 91.54 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 117.963 -1.495 . . . . 2.71 109.761 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.44 -24.86 36.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 106.554 -1.647 . . . . 0.93000000000000005 106.554 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CD2' ' B' ' 42' ' ' HIS . 0.0 OUTLIER -73.78 -41.48 62.36 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.908 -1.515 . . . . 2.6800000000000002 106.908 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -60.22 -40.56 90.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.638 -1.986 . . . . 0.71999999999999997 105.638 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.67 -44.83 73.68 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 118.436 -1.306 . . . . 1.8 108.499 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -55.12 -52.33 63.59 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 124.387 1.055 . . . . 0.56000000000000005 108.358 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.5 -0.88 . . . . 1.3100000000000001 110.584 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -63.47 -31.47 72.64 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.206 -1.398 . . . . 1.02 108.915 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.25 -37.64 63.72 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 115.6 -2.44 . . . . 1.71 106.793 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 tp -47.92 -51.24 24.15 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.746 -1.205 . . . . 1.0800000000000001 107.746 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -49.97 -67.92 0.22 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 112.938 -1.937 . . . . 1.8400000000000001 110.411 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.475 ' N ' ' HD2' ' B' ' 25' ' ' LYS . 1.3 mptp? -63.45 -19.04 64.38 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.312 -1.355 . . . . 1.8600000000000001 113.941 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.94 -29.28 43.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 104.975 -2.231 . . . . 1.22 104.975 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.96 -40.59 78.81 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.653 -1.98 . . . . 1.7 105.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -67.05 -28.39 68.16 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 114.957 -1.02 . . . . 2.6099999999999999 109.262 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.08 14.77 11.53 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.264 -0.974 . . . . 1.79 109.317 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.23 18.97 0.66 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 123.952 0.782 . . . . 2.4500000000000002 111.856 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 85.29 7.06 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 104.486 -2.413 . . . . 0.89000000000000001 104.486 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' B' ' 33' ' ' GLU . 9.0 p-10 -69.09 -43.91 73.57 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 124.179 0.925 . . . . 2.8300000000000001 111.355 -178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 27.2 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.163 -1.415 . . . . 2.1499999999999999 107.374 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.433 ' NE2' ' HA3' ' A' ' 57' ' ' GLY . 19.4 mm-40 -57.62 -34.04 68.87 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 117.581 -1.648 . . . . 2.2599999999999998 109.076 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -58.1 6.75 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.912 -1.515 . . . . 0.65000000000000002 112.37 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.71 -58.36 8.89 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 117.79 -1.564 . . . . 1.6699999999999999 111.381 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 mt -53.03 -33.39 19.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 118.346 -1.342 . . . . 1.1200000000000001 110.074 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.62 -50.08 75.26 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.636 -2.026 . . . . 0.69999999999999996 106.72 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' B' ' 42' ' ' HIS . 46.1 mm-40 -74.71 -13.93 60.67 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 116.63 -2.028 . . . . 2.8199999999999998 112.009 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.9 m -70.37 -32.11 69.65 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 102.089 -3.3 . . . . 0.77000000000000002 102.089 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -34.82 64.7 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 105.059 -2.201 . . . . 1.22 105.059 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.559 ' CD2' ' HG3' ' B' ' 16' ' ' ARG . 3.4 t-160 -53.21 -57.74 9.46 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.015 -1.074 . . . . 1.21 109.616 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.52 -53.86 51.11 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.246 -1.382 . . . . 1.8600000000000001 114.281 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -61.56 -35.73 78.61 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.107 -1.837 . . . . 2.2400000000000002 110.774 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' B' ' 16' ' ' ARG . . . -70.67 -19.06 62.82 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.226 -1.39 . . . . 0.69999999999999996 107.581 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -90.27 -20.39 23.01 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.452 -1.684 . . . . 1.45 106.452 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.87 -48.75 77.65 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 104.508 -2.404 . . . . 2.02 104.508 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -52.06 -26.72 11.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 125.448 1.717 . . . . 1.52 108.665 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.426 ' CD2' ' NH1' ' B' ' 13' ' ' ARG . 90.5 t80 -85.59 -77.66 0.29 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 118.267 -1.373 . . . . 1.3999999999999999 109.963 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -31.38 -90.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 121.018 3.711 . . . . 2.29 121.018 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -51.03 -41.83 60.06 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.003 0.906 . . . . 2.1099999999999999 110.928 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 63.4 m -69.38 -29.61 67.41 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 117.08 -1.848 . . . . 2.4100000000000001 110.223 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.72 -30.73 71.44 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 115.772 -2.371 . . . . 1.5800000000000001 106.519 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.89 -45.95 1.92 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 125.91 2.006 . . . . 2.0 111.296 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -118.59 -58.08 2.0 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 123.287 1.517 . . . . 3.6499999999999999 108.156 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' B' ' 5' ' ' GLU . 91.6 t80 143.47 81.72 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 1 N-CA-C 96.475 -5.38 . . . . 3.1099999999999999 96.475 -179.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.7 -66.93 0.51 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 107.884 -2.086 . . . . 4.8499999999999996 107.884 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.64 155.24 38.45 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.796 -1.557 . . . . 7.1900000000000004 106.796 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -104.16 -110.88 0.25 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.569 -1.641 . . . . 8.6199999999999992 106.569 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.58 145.31 24.99 Favored Glycine 0 C--N 1.3 -1.429 0 N-CA-C 105.474 -3.05 . . . . 9.7400000000000002 105.474 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -19.29 82.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 126.476 1.927 . . . . 10.960000000000001 114.793 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.423 HD22 ' N ' ' B' ' 63' ' ' LEU . 0.8 OUTLIER -119.1 153.29 35.04 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 103.569 -2.752 . . . . 12.6 103.569 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 ' N ' ' B' ' 63' ' ' LEU . 2.1 pt? . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 114.362 -2.732 . . . . 12.960000000000001 105.212 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.479 ' H3 ' ' CD ' ' A' ' 5' ' ' GLU . 6.6 tmm? . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 104.388 -2.449 . . . . 5.3700000000000001 104.388 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.36 -151.63 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 112.826 -1.988 . . . . 4.0199999999999996 109.764 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -89.95 -32.06 16.98 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.384 -0.926 . . . . 4.9500000000000002 109.936 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.534 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 2.3 mp0 -54.47 -57.82 9.87 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 120.132 -0.627 . . . . 4.0899999999999999 110.592 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.479 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 17.4 mp0 -55.17 -40.81 71.09 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 114.577 -1.192 . . . . 2.5299999999999998 108.02 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.29 -33.2 72.01 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 117.125 -1.83 . . . . 3.7799999999999998 108.4 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 m -65.44 -35.6 81.4 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 106.029 -1.841 . . . . 1.8200000000000001 106.029 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.55 72.81 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 117.371 -1.732 . . . . 0.87 107.159 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.73 -23.61 66.13 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.154 -1.425 . . . . 2.3700000000000001 107.154 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.429 ' N ' HD22 ' A' ' 10' ' ' ASN . 1.2 m-80 -63.21 -30.2 71.39 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 117.552 -1.659 . . . . 2.1499999999999999 108.175 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.403 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 52.1 ttm -63.98 -45.85 87.23 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.041 -1.837 . . . . 2.4199999999999999 106.041 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.53 73.14 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.639 -1.164 . . . . 0.67000000000000004 108.498 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.58 -38.15 86.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 118.86 -1.136 . . . . 3.1499999999999999 107.974 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CD2' ' HA ' ' A' ' 11' ' ' MET . 13.2 m-85 -64.84 -36.66 85.05 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.265 -1.374 . . . . 2.71 109.958 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.37 -48.89 85.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 106.93 -1.507 . . . . 0.93000000000000005 106.93 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 46' ' ' ASP . 9.1 tmm_? -62.79 -37.55 87.15 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.944 -1.48 . . . . 2.6800000000000002 110.047 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -64.69 -33.57 76.26 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 117.493 -1.683 . . . . 0.71999999999999997 107.46 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -64.07 -35.15 79.79 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.151 -1.796 . . . . 1.8 106.151 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -59.2 -27.06 65.37 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 117.729 -1.588 . . . . 0.56000000000000005 109.05 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.76 -45.04 94.56 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 105.672 -1.973 . . . . 1.3100000000000001 105.672 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -58.89 -30.38 67.73 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.875 -1.057 . . . . 1.02 109.757 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.52 -34.24 73.98 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 117.09 -1.844 . . . . 1.71 107.735 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.07 97.79 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 117.643 -1.623 . . . . 1.0800000000000001 107.027 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -52.14 -68.1 0.2 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.964 1.415 . . . . 1.8400000000000001 110.114 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -54.44 -49.15 70.7 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.846 -1.525 . . . . 1.8600000000000001 113.189 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.01 -34.93 74.02 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 117.402 -1.719 . . . . 1.22 109.098 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 118.695 -1.202 . . . . 1.7 109.264 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -71.07 -25.0 62.44 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.545 -0.909 . . . . 2.6099999999999999 108.545 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 mp -90.01 15.07 10.71 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.956 -1.02 . . . . 1.79 109.124 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t0 48.3 32.82 3.37 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.994 1.434 . . . . 2.4500000000000002 108.44 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 63.5 3.93 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 104.812 -2.292 . . . . 0.89000000000000001 104.812 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -44.05 -58.05 3.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 125.607 1.817 . . . . 2.8300000000000001 112.033 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 33' ' ' GLU . 1.5 pt-20 -52.9 -54.15 38.92 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.264 -1.374 . . . . 2.1499999999999999 111.658 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -66.1 -19.03 65.71 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 116.33 -2.148 . . . . 2.2599999999999998 110.081 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.06 65.72 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.638 -1.986 . . . . 0.65000000000000002 105.638 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.78 -51.79 67.57 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.456 1.122 . . . . 1.6699999999999999 109.456 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.7 mm -57.13 -33.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 113.701 -1.591 . . . . 1.1200000000000001 107.11 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.68 -32.05 69.16 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 117.759 -1.576 . . . . 0.69999999999999996 109.374 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.66 -58.77 4.92 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.06 -1.83 . . . . 2.8199999999999998 106.06 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -53.39 -32.92 51.74 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 113.687 -1.597 . . . . 0.77000000000000002 110.829 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.67 -36.76 62.8 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.227 -0.989 . . . . 1.22 108.523 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.51 -47.63 84.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.238 -1.801 . . . . 1.21 107.846 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.79 -55.17 28.87 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 114.828 -1.078 . . . . 1.8600000000000001 110.158 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -53.07 -41.46 64.9 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 114.312 -1.313 . . . . 2.2400000000000002 111.457 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.425 -1.31 . . . . 0.69999999999999996 108.057 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 29.4 t0 -79.82 -22.78 42.62 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.192 -1.403 . . . . 1.45 107.771 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -69.25 -31.14 69.48 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 116.931 -1.908 . . . . 2.02 107.95 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.53 -31.86 68.33 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.046 -1.835 . . . . 1.52 106.046 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' HD22 ' A' ' 53' ' ' LEU . 91.3 t80 -85.63 -94.39 0.08 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 103.311 -2.848 . . . . 1.3999999999999999 103.311 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HE ' ' HB2' ' A' ' 50' ' ' ARG . 17.9 ttm180 -2.7 -100.38 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 1 N-CA-C 122.57 4.285 . . . . 2.29 122.57 179.583 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -53.43 -33.24 53.28 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.447 -1.301 . . . . 2.1099999999999999 110.706 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HA ' ' N ' ' A' ' 58' ' ' ASP . 74.7 m -74.92 -33.15 61.95 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 116.188 -2.205 . . . . 2.4100000000000001 107.613 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD22 ' CZ ' ' A' ' 49' ' ' TYR . 53.5 tp -54.28 -32.96 57.61 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.001 -1.481 . . . . 1.5800000000000001 107.001 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.94 -70.35 0.11 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 126.595 2.434 . . . . 2.0 110.994 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -82.64 -54.25 5.29 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 105.285 -2.117 . . . . 3.6499999999999999 105.285 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 86.6 t80 134.15 86.88 0.0 OUTLIER 'General case' 0 C--N 1.29 -2.007 1 N-CA-C 99.912 -4.107 . . . . 3.1099999999999999 99.912 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.22 3.52 38.51 Favored Glycine 0 C--N 1.29 -1.99 0 C-N-CA 117.436 -2.316 . . . . 4.8499999999999996 108.042 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' HA ' ' A' ' 52' ' ' CYS . 11.1 t70 61.98 -147.57 0.39 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 102.476 -3.157 . . . . 7.1900000000000004 102.476 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.597 ' CG ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER 50.69 -165.08 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 125.469 1.731 . . . . 8.6199999999999992 109.988 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.597 ' N ' ' CG ' ' A' ' 59' ' ' ASP . . . -125.28 -49.07 0.2 Allowed Glycine 0 N--CA 1.48 1.591 0 C-N-CA 119.775 -1.202 . . . . 9.7400000000000002 112.066 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -94.8 10.26 35.9 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 116.308 1.966 . . . . 10.960000000000001 116.308 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' CG ' ' H ' ' A' ' 63' ' ' LEU . 59.4 t30 -77.72 -174.38 3.43 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 105.733 -1.951 . . . . 12.6 105.733 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.514 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.5 mm? . . . . . 0 C--N 1.301 -1.538 0 CA-C-O 114.274 -2.774 . . . . 12.960000000000001 107.197 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.408 ' H3 ' ' CD ' ' B' ' 5' ' ' GLU . 72.2 mtm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 102.618 -3.104 . . . . 5.3700000000000001 102.618 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -160.91 0.15 Allowed 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 112.034 -2.348 . . . . 4.0199999999999996 104.727 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -90.04 -33.34 16.36 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 118.523 -1.271 . . . . 4.9500000000000002 110.111 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' B' ' 5' ' ' GLU . 2.2 pm0 -53.03 -48.98 67.17 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 118.769 -1.172 . . . . 4.0899999999999999 112.732 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 56' ' ' PHE . 4.6 mp0 -63.62 -33.85 76.54 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.583 -1.266 . . . . 2.5299999999999998 107.583 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.47 -29.76 69.95 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 116.627 -2.029 . . . . 3.7799999999999998 107.963 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.6 m -69.83 -30.69 68.25 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.97 -1.863 . . . . 1.8200000000000001 105.97 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.53 78.46 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 103.885 -2.635 . . . . 0.87 103.885 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.91 -28.84 65.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.599 -1.63 . . . . 2.3700000000000001 106.599 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.18 -22.06 65.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.687 -1.605 . . . . 2.1499999999999999 108.929 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.99 -38.97 83.31 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 105.599 -2.001 . . . . 2.4199999999999999 105.599 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.59 74.25 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.499 -1.667 . . . . 0.67000000000000004 106.499 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -64.42 -40.63 96.15 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.124 -1.831 . . . . 3.1499999999999999 106.59 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -60.84 -38.01 84.04 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 117.454 -1.699 . . . . 2.71 108.855 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.59 -45.5 82.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 106.252 -1.758 . . . . 0.93000000000000005 106.252 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.604 HH21 ' CD2' ' B' ' 42' ' ' HIS . 22.3 ttt180 -58.85 -39.57 81.7 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 118.164 -1.415 . . . . 2.6800000000000002 109.172 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.8 m -60.94 -44.97 96.49 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.01 -1.076 . . . . 0.71999999999999997 110.637 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.27 -42.92 99.17 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 117.335 -1.746 . . . . 1.8 107.504 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 45.3 m -56.35 -32.36 64.63 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.783 -1.099 . . . . 0.56000000000000005 109.327 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.39 -46.03 81.66 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 117.627 -1.629 . . . . 1.3100000000000001 107.323 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -54.28 -43.16 70.78 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.455 -1.248 . . . . 1.02 108.696 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.86 -28.45 62.53 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.175 -1.41 . . . . 1.71 109.813 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.65 -54.07 49.74 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.193 -1.41 . . . . 1.0800000000000001 107.193 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.77 -58.49 7.27 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 112.978 -1.919 . . . . 1.8400000000000001 111.303 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -58.59 -36.35 73.86 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 117.149 -1.82 . . . . 1.8600000000000001 113.144 -178.176 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.49 -34.82 79.16 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 116.637 -2.025 . . . . 1.22 105.837 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.02 -39.92 91.61 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.562 -1.199 . . . . 1.7 108.329 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -66.08 -26.78 67.64 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 118.886 -1.126 . . . . 2.6099999999999999 109.504 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.98 22.48 3.18 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.762 -1.175 . . . . 1.79 108.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 52.08 21.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.82 1.325 . . . . 2.4500000000000002 108.576 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.12 57.53 1.27 Allowed 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.109 -1.811 . . . . 0.89000000000000001 106.109 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.24 -22.7 65.67 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.093 -1.412 . . . . 2.8300000000000001 111.918 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -30.13 61.51 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 116.338 -2.145 . . . . 2.1499999999999999 106.903 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -76.63 -28.47 56.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 103.767 -2.679 . . . . 2.2599999999999998 103.767 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.96 71.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 105.898 -1.889 . . . . 0.65000000000000002 105.898 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.53 -58.5 7.35 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 118.768 -1.173 . . . . 1.6699999999999999 109.543 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.95 -33.33 49.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 CA-C-N 114.061 -1.427 . . . . 1.1200000000000001 107.777 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.84 -26.23 63.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.576 -1.25 . . . . 0.69999999999999996 109.744 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.61 -49.89 17.16 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 103.128 -2.915 . . . . 2.8199999999999998 103.128 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -52.24 -31.54 32.77 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 114.742 -1.117 . . . . 0.77000000000000002 108.704 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.82 -43.97 43.39 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 105.373 -2.084 . . . . 1.22 105.373 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.604 ' CD2' HH21 ' B' ' 16' ' ' ARG . 51.4 t60 -48.67 -54.44 14.74 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.761 -1.563 . . . . 1.21 109.816 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.69 -19.7 22.37 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 116.291 -2.163 . . . . 1.8600000000000001 113.264 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -48.16 79.05 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.365 -2.134 . . . . 2.2400000000000002 105.547 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.29 71.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 106.504 -1.665 . . . . 0.69999999999999996 106.504 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' NH1' ' B' ' 16' ' ' ARG . 29.5 t70 -70.77 -28.22 64.52 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 117.334 -1.747 . . . . 1.45 110.438 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -64.82 -41.78 95.5 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 103.991 -2.596 . . . . 2.02 103.991 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.38 -24.73 67.3 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.14 -1.391 . . . . 1.52 107.446 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.445 ' CZ ' HD22 ' B' ' 53' ' ' LEU . 54.0 t80 -91.09 -92.25 0.14 Allowed 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.446 -1.302 . . . . 1.3999999999999999 107.779 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -27.94 -75.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 117.002 2.223 . . . . 2.29 117.002 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -47.29 -55.66 8.29 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.455 1.121 . . . . 2.1099999999999999 110.043 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.466 ' HB3' ' H ' ' B' ' 57' ' ' GLY . 96.5 m -65.42 -27.79 68.79 Favored 'General case' 0 C--N 1.291 -1.953 0 C-N-CA 119.06 -1.056 . . . . 2.4100000000000001 110.145 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' B' ' 49' ' ' TYR . 18.6 tp -61.75 -27.65 68.88 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 107.153 -1.425 . . . . 1.5800000000000001 107.153 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.94 -68.74 0.16 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 126.331 2.269 . . . . 2.0 110.474 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.616 HH22 ' N ' ' B' ' 60' ' ' GLY . 13.5 ttm105 -93.4 -56.71 2.83 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.067 -1.878 . . . . 3.6499999999999999 107.195 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 5' ' ' GLU . 35.2 t80 141.91 89.01 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 109.115 -3.675 . . . . 3.1099999999999999 101.638 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' B' ' 52' ' ' CYS . . . 91.87 -79.73 1.24 Allowed Glycine 0 N--CA 1.486 2.006 0 C-N-CA 116.93 -2.557 . . . . 4.8499999999999996 107.66 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -57.16 133.65 55.21 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.299 -1.741 . . . . 7.1900000000000004 106.299 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . 0.449 ' C ' HH22 ' B' ' 55' ' ' ARG . 27.5 t0 -116.19 156.43 26.53 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.611 -1.996 . . . . 8.6199999999999992 105.611 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . 0.616 ' N ' HH22 ' B' ' 55' ' ' ARG . . . -171.79 -46.47 0.04 OUTLIER Glycine 0 C--N 1.294 -1.799 1 N-CA-C 100.515 -5.034 . . . . 9.7400000000000002 100.515 -178.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -88.74 63.89 7.08 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 100.738 -3.801 . . . . 10.960000000000001 100.738 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -58.57 139.92 55.06 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.018 -1.447 . . . . 12.6 110.272 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--N 1.301 -1.535 0 N-CA-C 101.391 -3.559 . . . . 12.960000000000001 101.391 179.89 . . . . . . . . 0 0 . 1 stop_ save_